Chem
J-GLOBAL ID:200907049521021739   Nikkaji number:J2.401.618H

Cholestane-3β,6α-diol

コレスタン-3β,6α-ジオール
Substance type:
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula: C27H48O2
Molecular formula furigana: C27-H48-O2
Molecular weight: 404.679
InChI: InChI=1S/C27H48O2/c1-17(2)7-6-8-18(3)21-9-10-22-20-16-25(29)24-15-19(28)11-13-27(24,5)23(20)12-14-26(21,22)4/h17-25,28-29H,6-16H2,1-5H3/t18-,19+,20+,21-,22+,23+,24?,25+,26-,27-/m1/s1
InChI key: PMWTYEQRXYIMND-QTKDASIKSA-N
SMILES: CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@H](O)C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Systematic name  (3):
  • コレスタン-3β,6α-ジオール
  • (1R,3aS,3bS,5S,7S,9aR,9bS,11aR)-9a,11a-ジメチル-1-[(2R)-6-メチルヘプタン-2-イル]-ヘキサデカヒドロ-1H-シクロペンタ[a]フェナントレン-5,7-ジオール
  • (1R,3aS,3bS,5S,7S,9aR,9bS,11aR)-9a,11a-dimethyl-1-[(2R)-6-methylheptan-2-yl]-hexadecahydro-1H-cyclopenta[a]phenanthrene-5,7-diol
Other name (1):
  • Cholestane-3β,6α-diol
Regulation number (1):
  • 7-(1)-718
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