Chem
J-GLOBAL ID：200907092643867240   Nikkaji number：J2.755.883F

3α,7α-Dihydroxy-5β-cholestane-26-al

3α,7α-ジヒドロキシ-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： C27H46O3
Molecular formula furigana： C27-H46-O3
Molecular weight： 418.662
InChI： InChI=1S/C27H46O3/c1-17(16-28)6-5-7-18(2)21-8-9-22-25-23(11-13-27(21,22)4)26(3)12-10-20(29)14-19(26)15-24(25)30/h16-25,29-30H,5-15H2,1-4H3/t17?,18-,19+,20-,21-,22+,23+,24-,25+,26+,27-/m1/s1
InChI key： YWGOKHMOJTZGBN-UGMUFZQESA-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]3CC[C@]12C)C=O
Systematic name  (3)：
  • 3α,7α-ジヒドロキシ-5β-コレスタン-26-アール
  • (6R)-6-[(1R,3aS,3bR,4R,5aS,7R,9aS,9bS,11aR)-4,7-ジヒドロキシ-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,11aR)-4,7-dihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]-2-methylheptanal
Other name (2)：
  • 3α,7α-Dihydroxy-5β-cholestane-26-al
  • 3alpha,7alpha-Dihydroxy-5beta-cholestan-26-al
KEGG COMPOUND： C05445
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