Chem
J-GLOBAL ID：200907016102537320   Nikkaji number：J2.755.946H

5β-Cholesten-7α,12α-diol-3-one

7α,12α-ジヒドロキシ-5β-コレスタン-3-オン
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： C27H46O3
Molecular formula furigana： C27-H46-O3
Molecular weight： 418.662
InChI： InChI=1S/C27H46O3/c1-16(2)7-6-8-17(3)20-9-10-21-25-22(15-24(30)27(20,21)5)26(4)12-11-19(28)13-18(26)14-23(25)29/h16-18,20-25,29-30H,6-15H2,1-5H3/t17-,18+,20-,21+,22+,23-,24+,25+,26+,27-/m1/s1
InChI key： HHVQPBXBALLUDF-QORHGLQKSA-N
SMILES： CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4CC(=O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
Systematic name  (3)：
  • 7α,12α-ジヒドロキシ-5β-コレスタン-3-オン
  • (1R,3aS,3bR,4R,5aR,9aS,9bS,11S,11aR)-4,11-ジヒドロキシ-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-7-オン
  • (1R,3aS,3bR,4R,5aR,9aS,9bS,11S,11aR)-4,11-dihydroxy-9a,11a-dimethyl-1-[(2R)-6-methylheptan-2-yl]-hexadecahydro-1H-cyclopenta[a]phenanthren-7-one
Other name (4)：
  • 7α,12α-Dihydroxy-5β-cholestane-3-one
  • 7alpha,12alpha-Dihydroxy-5beta-cholestan-3-one
  • 5β-Cholesten-7α,12α-diol-3-one
  • 7α,12α-Dihydroxy-5β-cholestan-3-one
KEGG COMPOUND： C05453
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