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Chemistry, part 2

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Concept information

organooxygen compound > polyketide > macrolide > 6,8a-seco-6,8a-deoxy-5-oxoavermectin ''1a'' aglycone
... > organooxygen compound > ester > carboxylic ester > lactone > macrocyclic lactone > macrolide > 6,8a-seco-6,8a-deoxy-5-oxoavermectin ''1a'' aglycone
... > organooxygen compound > carbonyl compound > carboxylic ester > lactone > macrocyclic lactone > macrolide > 6,8a-seco-6,8a-deoxy-5-oxoavermectin ''1a'' aglycone
... > 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 > 6,8a-seco-6,8a-deoxy-5-oxoavermectin ''1a'' aglycone
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > carboxylic ester > lactone > macrocyclic lactone > macrolide > 6,8a-seco-6,8a-deoxy-5-oxoavermectin ''1a'' aglycone
... > organooxygen compound > ester > lactone > macrocyclic lactone > macrolide > 6,8a-seco-6,8a-deoxy-5-oxoavermectin ''1a'' aglycone
... > organooxygen compound > oxacycle > lactone > macrocyclic lactone > macrolide > 6,8a-seco-6,8a-deoxy-5-oxoavermectin ''1a'' aglycone
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > oxacycle > lactone > macrocyclic lactone > macrolide > 6,8a-seco-6,8a-deoxy-5-oxoavermectin ''1a'' aglycone
... > 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 > 6,8a-seco-6,8a-deoxy-5-oxoavermectin ''1a'' aglycone
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > lactone > macrocyclic lactone > macrolide > 6,8a-seco-6,8a-deoxy-5-oxoavermectin ''1a'' aglycone
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > macrocycle > macrocyclic lactone > macrolide > 6,8a-seco-6,8a-deoxy-5-oxoavermectin ''1a'' aglycone

Preferred term

6,8a-seco-6,8a-deoxy-5-oxoavermectin ''1a'' aglycone  

Type

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

Broader concept

charge

  • 0

formula

  • C34H48O7

inchi

  • InChI=1S/C34H48O7/c1-8-20(2)31-23(5)14-15-33(41-31)18-27-17-26(40-33)13-12-22(4)30(36)21(3)10-9-11-25(7)34(38)19-29(35)24(6)16-28(34)32(37)39-27/h9-12,14-16,20-21,23,26-28,30-31,36,38H,8,13,17-19H2,1-7H3/b10-9+,22-12+,25-11+/t20?,21-,23-,26+,27-,28-,30-,31+,33+,34+/m0/s1

inchikey

  • WMIUFIWIPJRLMD-AUPSCVIISA-N

mass

  • 568.751

monoisotopicmass

  • 568.34000

smiles

  • O1[C@]2(O[C@]3(C[C@](OC(=O)[C@]4([C@@](O)(CC(=O)C(=C4)C)C(=CC=C[C@@H]([C@H](O)C(=CC3)C)C)C)[H])(C2)[H])[H])C=C[C@@H]([C@H]1C(CC)C)C

subset

  • 2_STAR

synonym EXACT

  • (1S,2'R,3'S,4R,9S,10E,12E,14S,15S,16E,19R,21S)-2'-butan-2-yl-9,15-dihydroxy-3',6,10,14,16-pentamethylspiro[2,20-dioxatricyclo[17.3.1.04,9]tricosa-5,10,12,16-tetraene-21,6'-2,3-dihydropyran]-3,7-dione

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:190261

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