Summary

Molecular formula: C27H38O
SMILES: CC(C/C=C/[C@H]([C@H]1CCC2=C3[C@H](CC[C@]12C)[C@@]1(C)CCC(=O)C=C1C=C3)C)C
InChI: InChI=1S/C27H38O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h6,8-10,17-19,23,25H,7,11-16H2,1-5H3/b8-6+/t19-,23-,25+,26+,27-/m1/s1
InChIKey: AJRNPFZYKICTEM-AQAVSRJYSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=C2C=CC3=C4CCCC4CCC3C2CC1

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: Cholestane steroids

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Synonymous chemical names:
(22e)-cholesta-4,6,8(14),22-tetraen-3-on

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External chemical identifiers:
CID_6442479; CAS_126149-90-4; NPATLAS_NPA011692; CHEMSPIDER_4946557

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Chemical structure download