Chem
J-GLOBAL ID：201007022028535656   Nikkaji number：J2.802.941A

14α-Hydroxy-5β-cholest-7-ene-3,6-dione

14α-ヒドロキシ-5β-コレスタ-7-エン-3,6-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： C27H42O3
Molecular formula furigana： C27-H42-O3
Molecular weight： 414.630
InChI： InChI=1S/C27H42O3/c1-17(2)7-6-8-18(3)20-11-14-27(30)22-16-24(29)23-15-19(28)9-12-25(23,4)21(22)10-13-26(20,27)5/h16-18,20-21,23,30H,6-15H2,1-5H3/t18-,20-,21+,23+,25-,26-,27-/m1/s1
InChI key： AJPPBYXIXOLGAV-QHKDMNIJSA-N
SMILES： CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
Systematic name  (3)：
  • 14α-ヒドロキシ-5β-コレスタ-7-エン-3,6-ジオン
  • (1R,3aS,5aR,9aR,9bR,11aR)-3a-ヒドロキシ-9a,11a-ジメチル-1-[(2R)-6-メチルヘプタン-2-イル]-1H,2H,3H,3aH,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-シクロペンタ[a]フェナントレン-5,7-ジオン
  • (1R,3aS,5aR,9aR,9bR,11aR)-3a-hydroxy-9a,11a-dimethyl-1-[(2R)-6-methylheptan-2-yl]-1H,2H,3H,3aH,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-5,7-dione
Other name (2)：
  • 14α-Hydroxy-5β-cholesta-7-ene-3,6-dione
  • 14α-Hydroxy-5β-cholest-7-ene-3,6-dione
KEGG COMPOUND： C16509
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