Summary

Molecular formula: C34H54O9
SMILES: OC[C@H]1O[C@@H](O[C@H]2C[C@@H]([C@@]3([C@@H]2C2=CC(=O)[C@@H]4[C@]([C@H]2CC3)(C)CC[C@@H](C4)O)C)[C@@H](/C=C/[C@@H](C(O)(C)C)C)C)[C@@H]([C@H]([C@@H]1O)O)O
InChI: InChI=1S/C34H54O9/c1-17(7-8-18(2)32(3,4)41)22-15-25(42-31-30(40)29(39)28(38)26(16-35)43-31)27-20-14-24(37)23-13-19(36)9-11-33(23,5)21(20)10-12-34(22,27)6/h7-8,14,17-19,21-23,25-31,35-36,38-41H,9-13,15-16H2,1-6H3/b8-7+/t17-,18+,19+,21+,22-,23-,25+,26-,27-,28-,29+,30-,31-,33-,34-/m1/s1
InChIKey: MMWWBXILAPWVEK-SDCDWHJDSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=C2C(CCC3CCC(OC4CCCCO4)C23)C2CCCCC12

Scaffold Graph/Node level:
OC1CC2C(CCC3CCC(OC4CCCCO4)C32)C2CCCCC12

Scaffold Graph level:
CC1CC2C(CCC3CCC(CC4CCCCC4)C32)C2CCCCC12

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Chemical classification

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

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Synonymous chemical names:
fomentarol d

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External chemical identifiers:
CID_71734693; NPATLAS_NPA000949; CHEMSPIDER_78443468; ZINC_ZINC000255235354

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Chemical structure download