Chem
J-GLOBAL ID：200907019564811230   Nikkaji number：J2.755.945J

7α-Hydroxy-5β-cholestane-3-one

7α-ヒドロキシ-5β-コレスタン-3-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： C27H46O2
Molecular formula furigana： C27-H46-O2
Molecular weight： 402.663
InChI： InChI=1S/C27H46O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h17-19,21-25,29H,6-16H2,1-5H3/t18-,19+,21-,22+,23+,24-,25+,26+,27-/m1/s1
InChI key： HWOOALPDOJHOPO-YREUSXKVSA-N
SMILES： CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
Systematic name  (3)：
  • 7α-ヒドロキシ-5β-コレスタン-3-オン
  • (1R,3aS,3bR,4R,5aR,9aS,9bS,11aR)-4-ヒドロキシ-9a,11a-ジメチル-1-[(2R)-6-メチルヘプタン-2-イル]-ヘキサデカヒドロ-1H-シクロペンタ[a]フェナントレン-7-オン
  • (1R,3aS,3bR,4R,5aR,9aS,9bS,11aR)-4-hydroxy-9a,11a-dimethyl-1-[(2R)-6-methylheptan-2-yl]-hexadecahydro-1H-cyclopenta[a]phenanthren-7-one
Other name (3)：
  • 7α-Hydroxy-5β-cholestane-3-one
  • 7alpha-Hydroxy-5beta-cholestan-3-one
  • 5beta-Cholestan-7alpha-ol-3-one
KEGG COMPOUND： C05451
Thsaurus map：
Thesaurus Map

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