Chem
J-GLOBAL ID：200907002677807728   Nikkaji number：J620.624G

4α-Hydroxycholesterol

4α-ヒドロキシコレステロール
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： C27H46O2
Molecular formula furigana： C27-H46-O2
Molecular weight： 402.663
InChI： InChI=1S/C27H46O2/c1-17(2)7-6-8-18(3)20-11-12-21-19-9-10-23-25(29)24(28)14-16-27(23,5)22(19)13-15-26(20,21)4/h10,17-22,24-25,28-29H,6-9,11-16H2,1-5H3/t18-,19+,20-,21+,22+,24+,25+,26-,27-/m1/s1
InChI key： CZDKQKOAHAICSF-GFYXKKFXSA-N
SMILES： CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4[C@H](O)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Systematic name  (5)：
  • コレスタ-5-エン-3β,4α-ジオール
  • (3S,4S)-コレスタ-5-エン-3β,4α-ジオール
  • 4α-ヒドロキシコレステロール
  • (1R,3aS,3bS,6S,7S,9aR,9bS,11aR)-9a,11a-ジメチル-1-[(2R)-6-メチルヘプタン-2-イル]-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-シクロペンタ[a]フェナントレン-6,7-ジオール
  • (1R,3aS,3bS,6S,7S,9aR,9bS,11aR)-9a,11a-dimethyl-1-[(2R)-6-methylheptan-2-yl]-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-6,7-diol
Other name (3)：
  • (3S,4S)-Cholest-5-ene-3β,4α-diol
  • Cholest-5-ene-3β,4α-diol
  • 4α-Hydroxycholesterol
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