Chem
J-GLOBAL ID：201007083275744500   Nikkaji number：J2.810.628I

5β-Cholestane-3α,7α,26,27-tetraol

5β-コレスタン-3α,7α,26,27-テトラオール
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： C27H48O4
Molecular formula furigana： C27-H48-O4
Molecular weight： 436.677
InChI： InChI=1S/C27H48O4/c1-17(5-4-6-18(15-28)16-29)21-7-8-22-25-23(10-12-27(21,22)3)26(2)11-9-20(30)13-19(26)14-24(25)31/h17-25,28-31H,4-16H2,1-3H3/t17-,19+,20-,21-,22+,23+,24-,25+,26+,27-/m1/s1
InChI key： KWZLHGRUZVXWLT-CFHOJGGSSA-N
SMILES： C[C@H](CCCC(CO)CO)[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,26,27-テトラオール
  • (1R,3aS,3bR,4R,5aS,7R,9aS,9bS,11aR)-1-[(2R)-7-ヒドロキシ-6-(ヒドロキシメチル)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-(hydroxymethyl)heptan-2-yl]-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthrene-4,7-diol
Other name (1)：
  • 5β-Cholestane-3α,7α,26,27-tetraol
Thsaurus map：
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