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Chemistry, part 2

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Concept information

organooxygen compound > polyketide > macrolide > milbemycin > (1s,4r,4's,5's,6's,7r,8r,9s,10e,12e,14r,16e,19r,21r)-4',8,9-trihydroxy-10-(hydroxymethyl)-7-methoxy-5',6,14,16-tetramethyl-6'-[(e)-4-methylpent-2-en-2-yl]spiro[2,20-dioxatricyclo[17.3.1.04,9]tricosa-5,10,12,16-tetraene-21,2'-oxane]-3-one
... > organooxygen compound > ester > carboxylic ester > lactone > macrocyclic lactone > macrolide > milbemycin > (1s,4r,4's,5's,6's,7r,8r,9s,10e,12e,14r,16e,19r,21r)-4',8,9-trihydroxy-10-(hydroxymethyl)-7-methoxy-5',6,14,16-tetramethyl-6'-[(e)-4-methylpent-2-en-2-yl]spiro[2,20-dioxatricyclo[17.3.1.04,9]tricosa-5,10,12,16-tetraene-21,2'-oxane]-3-one
... > organooxygen compound > carbonyl compound > carboxylic ester > lactone > macrocyclic lactone > macrolide > milbemycin > (1s,4r,4's,5's,6's,7r,8r,9s,10e,12e,14r,16e,19r,21r)-4',8,9-trihydroxy-10-(hydroxymethyl)-7-methoxy-5',6,14,16-tetramethyl-6'-[(e)-4-methylpent-2-en-2-yl]spiro[2,20-dioxatricyclo[17.3.1.04,9]tricosa-5,10,12,16-tetraene-21,2'-oxane]-3-one
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic oxo compound > carbonyl compound > carboxylic ester > lactone > macrocyclic lactone > macrolide > milbemycin > (1s,4r,4's,5's,6's,7r,8r,9s,10e,12e,14r,16e,19r,21r)-4',8,9-trihydroxy-10-(hydroxymethyl)-7-methoxy-5',6,14,16-tetramethyl-6'-[(e)-4-methylpent-2-en-2-yl]spiro[2,20-dioxatricyclo[17.3.1.04,9]tricosa-5,10,12,16-tetraene-21,2'-oxane]-3-one
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > carboxylic ester > lactone > macrocyclic lactone > macrolide > milbemycin > (1s,4r,4's,5's,6's,7r,8r,9s,10e,12e,14r,16e,19r,21r)-4',8,9-trihydroxy-10-(hydroxymethyl)-7-methoxy-5',6,14,16-tetramethyl-6'-[(e)-4-methylpent-2-en-2-yl]spiro[2,20-dioxatricyclo[17.3.1.04,9]tricosa-5,10,12,16-tetraene-21,2'-oxane]-3-one
... > organooxygen compound > ester > lactone > macrocyclic lactone > macrolide > milbemycin > (1s,4r,4's,5's,6's,7r,8r,9s,10e,12e,14r,16e,19r,21r)-4',8,9-trihydroxy-10-(hydroxymethyl)-7-methoxy-5',6,14,16-tetramethyl-6'-[(e)-4-methylpent-2-en-2-yl]spiro[2,20-dioxatricyclo[17.3.1.04,9]tricosa-5,10,12,16-tetraene-21,2'-oxane]-3-one
... > organooxygen compound > oxacycle > lactone > macrocyclic lactone > macrolide > milbemycin > (1s,4r,4's,5's,6's,7r,8r,9s,10e,12e,14r,16e,19r,21r)-4',8,9-trihydroxy-10-(hydroxymethyl)-7-methoxy-5',6,14,16-tetramethyl-6'-[(e)-4-methylpent-2-en-2-yl]spiro[2,20-dioxatricyclo[17.3.1.04,9]tricosa-5,10,12,16-tetraene-21,2'-oxane]-3-one
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > oxacycle > lactone > macrocyclic lactone > macrolide > milbemycin > (1s,4r,4's,5's,6's,7r,8r,9s,10e,12e,14r,16e,19r,21r)-4',8,9-trihydroxy-10-(hydroxymethyl)-7-methoxy-5',6,14,16-tetramethyl-6'-[(e)-4-methylpent-2-en-2-yl]spiro[2,20-dioxatricyclo[17.3.1.04,9]tricosa-5,10,12,16-tetraene-21,2'-oxane]-3-one
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > lactone > macrocyclic lactone > macrolide > milbemycin > (1s,4r,4's,5's,6's,7r,8r,9s,10e,12e,14r,16e,19r,21r)-4',8,9-trihydroxy-10-(hydroxymethyl)-7-methoxy-5',6,14,16-tetramethyl-6'-[(e)-4-methylpent-2-en-2-yl]spiro[2,20-dioxatricyclo[17.3.1.04,9]tricosa-5,10,12,16-tetraene-21,2'-oxane]-3-one
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > lactone > macrocyclic lactone > macrolide > milbemycin > (1s,4r,4's,5's,6's,7r,8r,9s,10e,12e,14r,16e,19r,21r)-4',8,9-trihydroxy-10-(hydroxymethyl)-7-methoxy-5',6,14,16-tetramethyl-6'-[(e)-4-methylpent-2-en-2-yl]spiro[2,20-dioxatricyclo[17.3.1.04,9]tricosa-5,10,12,16-tetraene-21,2'-oxane]-3-one
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > macrocycle > macrocyclic lactone > macrolide > milbemycin > (1s,4r,4's,5's,6's,7r,8r,9s,10e,12e,14r,16e,19r,21r)-4',8,9-trihydroxy-10-(hydroxymethyl)-7-methoxy-5',6,14,16-tetramethyl-6'-[(e)-4-methylpent-2-en-2-yl]spiro[2,20-dioxatricyclo[17.3.1.04,9]tricosa-5,10,12,16-tetraene-21,2'-oxane]-3-one
... > organooxygen compound > oxacycle > cyclic ketal > spiroketal > milbemycin > (1s,4r,4's,5's,6's,7r,8r,9s,10e,12e,14r,16e,19r,21r)-4',8,9-trihydroxy-10-(hydroxymethyl)-7-methoxy-5',6,14,16-tetramethyl-6'-[(e)-4-methylpent-2-en-2-yl]spiro[2,20-dioxatricyclo[17.3.1.04,9]tricosa-5,10,12,16-tetraene-21,2'-oxane]-3-one
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > oxacycle > cyclic ketal > spiroketal > milbemycin > (1s,4r,4's,5's,6's,7r,8r,9s,10e,12e,14r,16e,19r,21r)-4',8,9-trihydroxy-10-(hydroxymethyl)-7-methoxy-5',6,14,16-tetramethyl-6'-[(e)-4-methylpent-2-en-2-yl]spiro[2,20-dioxatricyclo[17.3.1.04,9]tricosa-5,10,12,16-tetraene-21,2'-oxane]-3-one
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > cyclic ketal > spiroketal > milbemycin > (1s,4r,4's,5's,6's,7r,8r,9s,10e,12e,14r,16e,19r,21r)-4',8,9-trihydroxy-10-(hydroxymethyl)-7-methoxy-5',6,14,16-tetramethyl-6'-[(e)-4-methylpent-2-en-2-yl]spiro[2,20-dioxatricyclo[17.3.1.04,9]tricosa-5,10,12,16-tetraene-21,2'-oxane]-3-one
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > cyclic ketal > spiroketal > milbemycin > (1s,4r,4's,5's,6's,7r,8r,9s,10e,12e,14r,16e,19r,21r)-4',8,9-trihydroxy-10-(hydroxymethyl)-7-methoxy-5',6,14,16-tetramethyl-6'-[(e)-4-methylpent-2-en-2-yl]spiro[2,20-dioxatricyclo[17.3.1.04,9]tricosa-5,10,12,16-tetraene-21,2'-oxane]-3-one
... > organooxygen compound > acetal > ketal > cyclic ketal > spiroketal > milbemycin > (1s,4r,4's,5's,6's,7r,8r,9s,10e,12e,14r,16e,19r,21r)-4',8,9-trihydroxy-10-(hydroxymethyl)-7-methoxy-5',6,14,16-tetramethyl-6'-[(e)-4-methylpent-2-en-2-yl]spiro[2,20-dioxatricyclo[17.3.1.04,9]tricosa-5,10,12,16-tetraene-21,2'-oxane]-3-one
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > polycyclic compound > spiro compound > oxaspiro compound > spiroketal > milbemycin > (1s,4r,4's,5's,6's,7r,8r,9s,10e,12e,14r,16e,19r,21r)-4',8,9-trihydroxy-10-(hydroxymethyl)-7-methoxy-5',6,14,16-tetramethyl-6'-[(e)-4-methylpent-2-en-2-yl]spiro[2,20-dioxatricyclo[17.3.1.04,9]tricosa-5,10,12,16-tetraene-21,2'-oxane]-3-one
... > organooxygen compound > polyketide > macrolide > avermectin analogue > milbemycin > (1s,4r,4's,5's,6's,7r,8r,9s,10e,12e,14r,16e,19r,21r)-4',8,9-trihydroxy-10-(hydroxymethyl)-7-methoxy-5',6,14,16-tetramethyl-6'-[(e)-4-methylpent-2-en-2-yl]spiro[2,20-dioxatricyclo[17.3.1.04,9]tricosa-5,10,12,16-tetraene-21,2'-oxane]-3-one
... > organooxygen compound > ester > carboxylic ester > lactone > macrocyclic lactone > macrolide > avermectin analogue > milbemycin > (1s,4r,4's,5's,6's,7r,8r,9s,10e,12e,14r,16e,19r,21r)-4',8,9-trihydroxy-10-(hydroxymethyl)-7-methoxy-5',6,14,16-tetramethyl-6'-[(e)-4-methylpent-2-en-2-yl]spiro[2,20-dioxatricyclo[17.3.1.04,9]tricosa-5,10,12,16-tetraene-21,2'-oxane]-3-one
... > organooxygen compound > carbonyl compound > carboxylic ester > lactone > macrocyclic lactone > macrolide > avermectin analogue > milbemycin > (1s,4r,4's,5's,6's,7r,8r,9s,10e,12e,14r,16e,19r,21r)-4',8,9-trihydroxy-10-(hydroxymethyl)-7-methoxy-5',6,14,16-tetramethyl-6'-[(e)-4-methylpent-2-en-2-yl]spiro[2,20-dioxatricyclo[17.3.1.04,9]tricosa-5,10,12,16-tetraene-21,2'-oxane]-3-one
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic oxo compound > carbonyl compound > carboxylic ester > lactone > macrocyclic lactone > macrolide > avermectin analogue > milbemycin > (1s,4r,4's,5's,6's,7r,8r,9s,10e,12e,14r,16e,19r,21r)-4',8,9-trihydroxy-10-(hydroxymethyl)-7-methoxy-5',6,14,16-tetramethyl-6'-[(e)-4-methylpent-2-en-2-yl]spiro[2,20-dioxatricyclo[17.3.1.04,9]tricosa-5,10,12,16-tetraene-21,2'-oxane]-3-one
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > carboxylic ester > lactone > macrocyclic lactone > macrolide > avermectin analogue > milbemycin > (1s,4r,4's,5's,6's,7r,8r,9s,10e,12e,14r,16e,19r,21r)-4',8,9-trihydroxy-10-(hydroxymethyl)-7-methoxy-5',6,14,16-tetramethyl-6'-[(e)-4-methylpent-2-en-2-yl]spiro[2,20-dioxatricyclo[17.3.1.04,9]tricosa-5,10,12,16-tetraene-21,2'-oxane]-3-one
... > organooxygen compound > ester > lactone > macrocyclic lactone > macrolide > avermectin analogue > milbemycin > (1s,4r,4's,5's,6's,7r,8r,9s,10e,12e,14r,16e,19r,21r)-4',8,9-trihydroxy-10-(hydroxymethyl)-7-methoxy-5',6,14,16-tetramethyl-6'-[(e)-4-methylpent-2-en-2-yl]spiro[2,20-dioxatricyclo[17.3.1.04,9]tricosa-5,10,12,16-tetraene-21,2'-oxane]-3-one
... > organooxygen compound > oxacycle > lactone > macrocyclic lactone > macrolide > avermectin analogue > milbemycin > (1s,4r,4's,5's,6's,7r,8r,9s,10e,12e,14r,16e,19r,21r)-4',8,9-trihydroxy-10-(hydroxymethyl)-7-methoxy-5',6,14,16-tetramethyl-6'-[(e)-4-methylpent-2-en-2-yl]spiro[2,20-dioxatricyclo[17.3.1.04,9]tricosa-5,10,12,16-tetraene-21,2'-oxane]-3-one
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > oxacycle > lactone > macrocyclic lactone > macrolide > avermectin analogue > milbemycin > (1s,4r,4's,5's,6's,7r,8r,9s,10e,12e,14r,16e,19r,21r)-4',8,9-trihydroxy-10-(hydroxymethyl)-7-methoxy-5',6,14,16-tetramethyl-6'-[(e)-4-methylpent-2-en-2-yl]spiro[2,20-dioxatricyclo[17.3.1.04,9]tricosa-5,10,12,16-tetraene-21,2'-oxane]-3-one
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > lactone > macrocyclic lactone > macrolide > avermectin analogue > milbemycin > (1s,4r,4's,5's,6's,7r,8r,9s,10e,12e,14r,16e,19r,21r)-4',8,9-trihydroxy-10-(hydroxymethyl)-7-methoxy-5',6,14,16-tetramethyl-6'-[(e)-4-methylpent-2-en-2-yl]spiro[2,20-dioxatricyclo[17.3.1.04,9]tricosa-5,10,12,16-tetraene-21,2'-oxane]-3-one
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > lactone > macrocyclic lactone > macrolide > avermectin analogue > milbemycin > (1s,4r,4's,5's,6's,7r,8r,9s,10e,12e,14r,16e,19r,21r)-4',8,9-trihydroxy-10-(hydroxymethyl)-7-methoxy-5',6,14,16-tetramethyl-6'-[(e)-4-methylpent-2-en-2-yl]spiro[2,20-dioxatricyclo[17.3.1.04,9]tricosa-5,10,12,16-tetraene-21,2'-oxane]-3-one
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > macrocycle > macrocyclic lactone > macrolide > avermectin analogue > milbemycin > (1s,4r,4's,5's,6's,7r,8r,9s,10e,12e,14r,16e,19r,21r)-4',8,9-trihydroxy-10-(hydroxymethyl)-7-methoxy-5',6,14,16-tetramethyl-6'-[(e)-4-methylpent-2-en-2-yl]spiro[2,20-dioxatricyclo[17.3.1.04,9]tricosa-5,10,12,16-tetraene-21,2'-oxane]-3-one
... > organooxygen compound > oxacycle > cyclic ketal > avermectin analogue > milbemycin > (1s,4r,4's,5's,6's,7r,8r,9s,10e,12e,14r,16e,19r,21r)-4',8,9-trihydroxy-10-(hydroxymethyl)-7-methoxy-5',6,14,16-tetramethyl-6'-[(e)-4-methylpent-2-en-2-yl]spiro[2,20-dioxatricyclo[17.3.1.04,9]tricosa-5,10,12,16-tetraene-21,2'-oxane]-3-one
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > oxacycle > cyclic ketal > avermectin analogue > milbemycin > (1s,4r,4's,5's,6's,7r,8r,9s,10e,12e,14r,16e,19r,21r)-4',8,9-trihydroxy-10-(hydroxymethyl)-7-methoxy-5',6,14,16-tetramethyl-6'-[(e)-4-methylpent-2-en-2-yl]spiro[2,20-dioxatricyclo[17.3.1.04,9]tricosa-5,10,12,16-tetraene-21,2'-oxane]-3-one
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > cyclic ketal > avermectin analogue > milbemycin > (1s,4r,4's,5's,6's,7r,8r,9s,10e,12e,14r,16e,19r,21r)-4',8,9-trihydroxy-10-(hydroxymethyl)-7-methoxy-5',6,14,16-tetramethyl-6'-[(e)-4-methylpent-2-en-2-yl]spiro[2,20-dioxatricyclo[17.3.1.04,9]tricosa-5,10,12,16-tetraene-21,2'-oxane]-3-one
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > cyclic ketal > avermectin analogue > milbemycin > (1s,4r,4's,5's,6's,7r,8r,9s,10e,12e,14r,16e,19r,21r)-4',8,9-trihydroxy-10-(hydroxymethyl)-7-methoxy-5',6,14,16-tetramethyl-6'-[(e)-4-methylpent-2-en-2-yl]spiro[2,20-dioxatricyclo[17.3.1.04,9]tricosa-5,10,12,16-tetraene-21,2'-oxane]-3-one
... > organooxygen compound > acetal > ketal > cyclic ketal > avermectin analogue > milbemycin > (1s,4r,4's,5's,6's,7r,8r,9s,10e,12e,14r,16e,19r,21r)-4',8,9-trihydroxy-10-(hydroxymethyl)-7-methoxy-5',6,14,16-tetramethyl-6'-[(e)-4-methylpent-2-en-2-yl]spiro[2,20-dioxatricyclo[17.3.1.04,9]tricosa-5,10,12,16-tetraene-21,2'-oxane]-3-one

Preferred term

(1s,4r,4's,5's,6's,7r,8r,9s,10e,12e,14r,16e,19r,21r)-4',8,9-trihydroxy-10-(hydroxymethyl)-7-methoxy-5',6,14,16-tetramethyl-6'-[(e)-4-methylpent-2-en-2-yl]spiro[2,20-dioxatricyclo[17.3.1.04,9]tricosa-5,10,12,16-tetraene-21,2'-oxane]-3-one  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C37H56O9

inchi

  • InChI=1S/C37H56O9/c1-21(2)14-24(5)32-26(7)31(39)19-36(46-32)18-29-17-28(45-36)13-12-23(4)15-22(3)10-9-11-27(20-38)37(42)30(35(41)44-29)16-25(6)33(43-8)34(37)40/h9-12,14,16,21-22,26,28-34,38-40,42H,13,15,17-20H2,1-8H3/b10-9+,23-12+,24-14+,27-11+/t22-,26-,28+,29-,30-,31-,32+,33+,34+,36-,37+/m0/s1

inchikey

  • GNKPRZFHCQVTTB-BFOMYHFSSA-N

mass

  • 644.846

monoisotopicmass

  • 644.39243

smiles

  • O=C1O[C@@H]2C[C@@]3(O[C@H](/C(=C/C(C)C)/C)[C@@H](C)[C@H](C3)O)O[C@@H](C2)CC=C(C[C@H](C=CC=C([C@]4([C@H]1C=C([C@@H](OC)[C@H]4O)C)O)CO)C)C

subset

  • 2_STAR

synonym EXACT

  • (1S,4R,4'S,5'S,6'S,7R,8R,9S,10E,12E,14R,16E,19R,21R)-4',8,9-trihydroxy-10-(hydroxymethyl)-7-methoxy-5',6,14,16-tetramethyl-6'-[(E)-4-methylpent-2-en-2-yl]spiro[2,20-dioxatricyclo[17.3.1.04,9]tricosa-5,10,12,16-tetraene-21,2'-oxane]-3-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:220951

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