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Concept information

organooxygen compound > polyketide > macrolide > milbemycin > 4,25-diethyl-4,25-demethyl-milbemycin beta3
... > organooxygen compound > ester > carboxylic ester > lactone > macrocyclic lactone > macrolide > milbemycin > 4,25-diethyl-4,25-demethyl-milbemycin beta3
... > organooxygen compound > carbonyl compound > carboxylic ester > lactone > macrocyclic lactone > macrolide > milbemycin > 4,25-diethyl-4,25-demethyl-milbemycin beta3
... > organooxygen compound > ester > lactone > macrocyclic lactone > macrolide > milbemycin > 4,25-diethyl-4,25-demethyl-milbemycin beta3
... > organooxygen compound > oxacycle > lactone > macrocyclic lactone > macrolide > milbemycin > 4,25-diethyl-4,25-demethyl-milbemycin beta3
... > organooxygen compound > oxacycle > cyclic ketal > spiroketal > milbemycin > 4,25-diethyl-4,25-demethyl-milbemycin beta3
... > organooxygen compound > acetal > ketal > cyclic ketal > spiroketal > milbemycin > 4,25-diethyl-4,25-demethyl-milbemycin beta3
... > organooxygen compound > polyketide > macrolide > avermectin analogue > milbemycin > 4,25-diethyl-4,25-demethyl-milbemycin beta3
... > organooxygen compound > ester > lactone > macrocyclic lactone > macrolide > avermectin analogue > milbemycin > 4,25-diethyl-4,25-demethyl-milbemycin beta3
... > organooxygen compound > oxacycle > lactone > macrocyclic lactone > macrolide > avermectin analogue > milbemycin > 4,25-diethyl-4,25-demethyl-milbemycin beta3
... > organooxygen compound > oxacycle > cyclic ketal > avermectin analogue > milbemycin > 4,25-diethyl-4,25-demethyl-milbemycin beta3
... > organooxygen compound > acetal > ketal > cyclic ketal > avermectin analogue > milbemycin > 4,25-diethyl-4,25-demethyl-milbemycin beta3

Preferred term

4,25-diethyl-4,25-demethyl-milbemycin beta3  

Type

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

Broader concept

charge

  • 0

formula

  • C33H46O5

inchi

  • InChI=1S/C33H46O5/c1-7-25-17-29-28(19-30(25)34)23(5)11-9-10-21(3)16-22(4)12-13-26-18-27(36-32(29)35)20-33(37-26)15-14-24(6)31(8-2)38-33/h9-12,17,19,21,24,26-27,31,34H,7-8,13-16,18,20H2,1-6H3/b10-9+,22-12+,23-11+/t21-,24-,26+,27-,31+,33+/m0/s1

inchikey

  • QUCNXDNZNHAZDJ-NNNJWTRQSA-N

mass

  • 522.726

monoisotopicmass

  • 522.33452

smiles

  • O=C1O[C@@H]2C[C@]3(O[C@@H](C2)CC=C(C[C@H](C=CC=C(C4=C1C=C(CC)C(=C4)O)C)C)C)O[C@@H]([C@@H](C)CC3)CC

subset

  • 2_STAR

synonym EXACT

  • (1S,5'S,6'R,10E,12E,14R,16E,19R,21R)-6,6'-diethyl-7-hydroxy-5',10,14,16-tetramethylspiro[2,20-dioxatricyclo[17.3.1.04,9]tricosa-4(9),5,7,10,12,16-hexaene-21,2'-oxane]-3-one

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:218332

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