Summary

Molecular formula: C31H48O6
SMILES: O=C1O[C@]2([C@H]([C@@H]1C)C)C[C@@H](C)[C@@H]1[C@]3([C@H](O2)C[C@H]2[C@H]([C@@]3(C(=O)C1)C)CC[C@@H]1[C@]2(C)[C@H](O)C[C@H](C1(C)C)O)C
InChI: InChI=1S/C31H48O6/c1-15-14-31(17(3)16(2)26(35)37-31)36-25-12-20-18(29(7)24(34)11-19(15)30(25,29)8)9-10-21-27(4,5)22(32)13-23(33)28(20,21)6/h15-23,25,32-33H,9-14H2,1-8H3/t15-,16+,17+,18-,19-,20+,21+,22-,23-,25-,28-,29-,30+,31+/m1/s1
InChIKey: REYDUJKYCGUWEE-ARVUAJLDSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCC2(CCC3CC(=O)C4C5CCC6CCCCC6C5CC(O2)C34)O1

Scaffold Graph/Node level:
OC1CCC2(CCC3CC(O)C4C5CCC6CCCCC6C5CC(O2)C34)O1

Scaffold Graph level:
CC1CCC2(CCC3CC(C)C4C5CCC6CCCCC6C5CC(C2)C34)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 b

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External chemical identifiers:
CID_25208051; CHEMSPIDER_78438105; ZINC_ZINC000137454490

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Chemical structure download