Chem
J-GLOBAL ID：201007095209650500   Nikkaji number：J2.810.629G

5α-Cholestane-3α,7α,12α,26-tetraol

5α-コレスタン-3α,7α,12α,26-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/c1-16(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/h16-25,28-31H,5-15H2,1-4H3/t16?,17-,18-,19-,20-,21+,22+,23-,24+,25+,26+,27-/m1/s1
InChI key： XJZGNVBLVFOSKJ-PLAINUPSSA-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]3C[C@H](O)[C@]12C
Systematic name  (3)：
  • 5α-コレスタン-3α,7α,12α,26-テトラオール
  • (1R,3aS,3bR,4R,5aR,7R,9aS,9bS,11S,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-4,7,11-トリオール
  • (1R,3aS,3bR,4R,5aR,7R,9aS,9bS,11S,11aR)-1-[(2R)-7-hydroxy-6-methylheptan-2-yl]-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthrene-4,7,11-triol
Other name (1)：
  • 5α-Cholestane-3α,7α,12α,26-tetraol
Thsaurus map：
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