Chem
J-GLOBAL ID：200907019207845119   Nikkaji number：J676.110K

5β-Cholestane-3α,7α,26-triol

5β-コレスタン-3α,7α,26-トリオール
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： C27H48O3
Molecular formula furigana： C27-H48-O3
Molecular weight： 420.678
InChI： InChI=1S/C27H48O3/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/h17-25,28-30H,5-16H2,1-4H3/t17?,18-,19+,20-,21-,22+,23+,24-,25+,26+,27-/m1/s1
InChI key： OQIJRBFRXGIHMI-UGMUFZQESA-N
SMILES： CC(CO)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
Systematic name  (3)：
  • 5β-コレスタン-3α,7α,26-トリオール
  • (1R,3aS,3bR,4R,5aS,7R,9aS,9bS,11aR)-1-[(2R)-7-ヒドロキシ-6-メチルヘプタン-2-イル]-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-4,7-ジオール
  • (1R,3aS,3bR,4R,5aS,7R,9aS,9bS,11aR)-1-[(2R)-7-hydroxy-6-methylheptan-2-yl]-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthrene-4,7-diol
Other name (1)：
  • 5β-Cholestane-3α,7α,26-triol
KEGG COMPOUND： C05444
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