Summary

Molecular formula: C28H46O4
SMILES: O[C@H]1CC[C@]2([C@@](C1)(O)[C@H](O)C=C1[C@]2(O)CC[C@]2([C@H]1CC[C@@H]2[C@@H](/C=C/[C@@H](C(C)C)C)C)C)C
InChI: InChI=1S/C28H46O4/c1-17(2)18(3)7-8-19(4)21-9-10-22-23-15-24(30)28(32)16-20(29)11-12-26(28,6)27(23,31)14-13-25(21,22)5/h7-8,15,17-22,24,29-32H,9-14,16H2,1-6H3/b8-7+/t18-,19+,20-,21+,22-,24+,25+,26+,27+,28-/m0/s1
InChIKey: NYMHFYDQBMRBMB-IUMXJWHTSA-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:
(22e,24r)-ergosta-7,22-diene-3β,5α,6β,9α-tetraol, 22e,24r-ergosta-7,22-diene-3b,5 a ,6b,9 a -tetraol, 9-hydroxycerevistero

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External chemical identifiers:
CID_637203; CAS_88191-06-4; CHEMSPIDER_552843; ZINC_ZINC000070454462

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Chemical structure download