Summary

Molecular formula: C34H48O8
SMILES: OC(=O)CC(=O)O[C@@H]1CC[C@]2([C@H](C1(C)C)CC(=O)C1=C2C[C@@H](O)[C@]2([C@@]1(C)CC[C@@H]2[C@@H](C[C@@H]1OC(=O)C(=C1C)C)C)C)C
InChI: InChI=1S/C34H48O8/c1-17(13-23-18(2)19(3)30(40)41-23)20-9-12-33(7)29-21(14-25(36)34(20,33)8)32(6)11-10-26(42-28(39)16-27(37)38)31(4,5)24(32)15-22(29)35/h17,20,23-26,36H,9-16H2,1-8H3,(H,37,38)/t17-,20-,23+,24+,25-,26-,32-,33+,34+/m1/s1
InChIKey: VJQVBVZQNXBUMB-IGSMQXNZSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=CC(CCC2CCC3C4=C(CCC23)C2CCCCC2CC4=O)O1

Scaffold Graph/Node level:
OC1CCC(CCC2CCC3C2CCC2C4CCCCC4CC(O)C32)O1

Scaffold Graph level:
CC1CCC(CCC2CCC3C2CCC2C4CCCCC4CC(C)C32)C1

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Chemical classification

Kingdom: Organic compounds
Super class: Lipids and lipid-like molecules
Class: Steroids and steroid derivatives
Sub class: Steroid lactones

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Synonymous chemical names:
officimalonic acid b

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External chemical identifiers:
CID_139583811; CHEMSPIDER_78443373

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Chemical structure download