Chem
J-GLOBAL ID：200907087340373829   Nikkaji number：J2.732.427D

3α,7α,12α-Trihydroxy-5β-cholestane-26-al

3α,7α,12α-トリヒドロキシ-5β-コレスタン-26-アール
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： C27H46O4
Molecular formula furigana： C27-H46-O4
Molecular weight： 434.661
InChI： InChI=1S/C27H46O4/c1-16(15-28)6-5-7-17(2)20-8-9-21-25-22(14-24(31)27(20,21)4)26(3)11-10-19(29)12-18(26)13-23(25)30/h15-25,29-31H,5-14H2,1-4H3/t16?,17-,18+,19-,20-,21+,22+,23-,24+,25+,26+,27-/m1/s1
InChI key： USFJGINJGUIFSY-XZULNKEGSA-N
SMILES： CC(CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C)C=O
Systematic name  (3)：
  • 3α,7α,12α-トリヒドロキシ-5β-コレスタン-26-アール
  • (6R)-6-[(1R,3aS,3bR,4R,5aS,7R,9aS,9bS,11S,11aR)-4,7,11-トリヒドロキシ-9a,11a-ジメチル-ヘキサデカヒドロ-1H-シクロペンタ[a]フェナントレン-1-イル]-2-メチルヘプタナール
  • (6R)-6-[(1R,3aS,3bR,4R,5aS,7R,9aS,9bS,11S,11aR)-4,7,11-trihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]-2-methylheptanal
Other name (2)：
  • 3α,7α,12α-Trihydroxy-5β-cholestane-26-al
  • 3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestan-26-al
KEGG COMPOUND： C01301
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