Summary

Molecular formula: C28H40O
SMILES: CC([C@H](C=C[C@H]([C@H]1CC[C@@H]2[C@]1(C)CCC1=C2C=CC2=CC(=O)CC[C@]12C)C)C)C
InChI: InChI=1S/C28H40O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-10,17-20,24-25H,11-16H2,1-6H3/t19-,20+,24+,25-,27-,28+/m0/s1
InChIKey: PVOXMLZUXQNIHC-YWZDQHIKSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=C2C=CC3=C(CCC4CCCC34)C2CC1

Scaffold Graph/Node level:
OC1CCC2C(CCC3C4CCCC4CCC23)C1

Scaffold Graph level:
CC1CCC2C(CCC3C4CCCC4CCC23)C1

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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:
ergosta-4,6,8,22-tetraen-3-one

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External chemical identifiers:
CID_90930812; NPATLAS_NPA011323; CHEMSPIDER_67171141

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Chemical structure download