Summary

Molecular formula: C34H48O9
SMILES: OC(=O)CC(=O)O[C@@H]1CC[C@]2([C@H](C1(C)C)CC(=O)C1=C2C[C@@H](O)[C@]23[C@@]1(C)CC[C@@H]3[C@H](C)C[C@]1(OC2)OC(=O)[C@H]([C@@H]1C)C)C
InChI: InChI=1S/C34H48O9/c1-17-15-34(19(3)18(2)29(40)43-34)41-16-33-20(17)8-11-32(33,7)28-21(12-24(33)36)31(6)10-9-25(42-27(39)14-26(37)38)30(4,5)23(31)13-22(28)35/h17-20,23-25,36H,8-16H2,1-7H3,(H,37,38)/t17-,18+,19+,20-,23+,24-,25-,31-,32+,33+,34+/m1/s1
InChIKey: JVTKEEUUSBPFFJ-NGPOTDMGSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCC2(CCC3CCC4C5=C(CCC34CO2)C2CCCCC2CC5=O)O1

Scaffold Graph/Node level:
OC1CCC2(CCC3CCC4C5C(O)CC6CCCCC6C5CCC34CO2)O1

Scaffold Graph level:
CC1CCC2(CCC3CCC4C5C(C)CC6CCCCC6C5CCC34CC2)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 c

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External chemical identifiers:
CID_139588240; CHEMSPIDER_78443427

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Chemical structure download