Chem
J-GLOBAL ID：200907031263789345   Nikkaji number：J844.354H

25-Hydroxy-5α-cholestane-3,15-dione

25-ヒドロキシ-5α-コレスタン-3,15-ジオン
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： C27H44O3
Molecular formula furigana： C27-H44-O3
Molecular weight： 416.646
InChI： InChI=1S/C27H44O3/c1-17(7-6-12-25(2,3)30)22-16-23(29)24-20-9-8-18-15-19(28)10-13-26(18,4)21(20)11-14-27(22,24)5/h17-18,20-22,24,30H,6-16H2,1-5H3/t17-,18+,20-,21+,22-,24-,26+,27-/m1/s1
InChI key： PFJXNXGUVLKTCQ-BEZYYTNSSA-N
SMILES： C[C@H](CCCC(C)(C)O)[C@H]1CC(=O)[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
Systematic name  (3)：
  • 25-ヒドロキシ-5α-コレスタン-3,15-ジオン
  • (1R,3aS,3bR,5aS,9aS,9bS,11aR)-1-[(2R)-6-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-3,7-ジオン
  • (1R,3aS,3bR,5aS,9aS,9bS,11aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthrene-3,7-dione
Other name (1)：
  • 25-Hydroxy-5α-cholestane-3,15-dione
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