Summary

Molecular formula: C28H46O3
SMILES: O[C@H]1CC[C@]2([C@@](C1)(O)[C@H](O)C=C1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](/C=C/[C@@H](C(C)C)C)C)C)C
InChI: InChI=1S/C28H46O3/c1-17(2)18(3)7-8-19(4)22-9-10-23-21-15-25(30)28(31)16-20(29)11-14-27(28,6)24(21)12-13-26(22,23)5/h7-8,15,17-20,22-25,29-31H,9-14,16H2,1-6H3/b8-7+/t18-,19+,20-,22+,23-,24-,25+,26+,27+,28-/m0/s1
InChIKey: ARXHRTZAVQOQEU-BRVLHLJYSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=C2C3CCCC3CCC2C2CCCCC2C1

Scaffold Graph/Node level:
C1CCC2C(C1)CCC1C3CCCC3CCC21

Scaffold Graph level:
C1CCC2C(C1)CCC1C3CCCC3CCC21

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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:
3β,5α-6β-trihydroxy-7,22e-dien-ergosta, cerevisterol, ergosta-3β-5α,6β-trihydroxy-7,22-diene(cerevisterol)

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External chemical identifiers:
CID_10181133; CAS_516-37-0; NPATLAS_NPA018187; CHEMSPIDER_4526365, CHEMSPIDER_8356635; ZINC_ZINC000043620416; Molport_MolPort-035-706-288

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Chemical structure download