Summary

Molecular formula: C28H40O
SMILES: CC([C@H](/C=C/[C@H]([C@H]1CCC2=C3[C@H](CC[C@]12C)[C@@]1(C)CCC(=O)C=C1C=C3)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/h7-10,17-20,24,26H,11-16H2,1-6H3/b8-7+/t19-,20+,24+,26-,27-,28+/m0/s1
InChIKey: OIMXTYUHMBQQJM-HSVWHVBGSA-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: Ergostane steroids

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Synonymous chemical names:
(22e,24r)-ergosta-4,6,8(14),22-tetraen-3-one, ergone, ergosta-4,6,8(14),22-tetraen-3-one

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External chemical identifiers:
CID_146157837, CID_6441416; CAS_19254-69-4; CHEMSPIDER_4945582; ZINC_ZINC000005761087; Molport_MolPort-023-298-990

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Chemical structure download