Summary

Molecular formula: C31H48O5
SMILES: C[C@@H]1C[C@]2(OC[C@]34[C@@H]1CC[C@@]4(C)C1=C(C[C@@H]3O)[C@@]3(C)CC[C@H](C([C@@H]3CC1)(C)C)O)OC(=O)[C@H]([C@@H]2C)C
InChI: InChI=1S/C31H48O5/c1-17-15-31(19(3)18(2)26(34)36-31)35-16-30-20(17)10-13-29(30,7)21-8-9-23-27(4,5)24(32)11-12-28(23,6)22(21)14-25(30)33/h17-20,23-25,32-33H,8-16H2,1-7H3/t17-,18+,19+,20-,23+,24-,25+,28-,29+,30+,31+/m1/s1
InChIKey: KZYMUMWRDHVBQQ-QQOUVJANSA-N

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Molecular scaffolds

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

Scaffold Graph/Node level:
OC1CCC2(CCC3CCC4C5CCC6CCCCC6C5CCC34CO2)O1

Scaffold Graph level:
CC1CCC2(CCC3CCC4C5CCC6CCCCC6C5CCC34CC2)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:
fomefficinol a

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External chemical identifiers:
CID_25208048; CHEMSPIDER_78437093; ZINC_ZINC000255225425

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Chemical structure download