Chem
J-GLOBAL ID：200907046208401955   Nikkaji number：J676.108I

7α-Hydroxy-3-oxo-4-colenic acid

7α-ヒドロキシ-3-オキソ4-コレン酸
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： C24H36O4
Molecular formula furigana： C24-H36-O4
Molecular weight： 388.548
InChI： InChI=1S/C24H36O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h12,14,17-20,22,26H,4-11,13H2,1-3H3,(H,27,28)/t14-,17-,18+,19+,20-,22+,23+,24-/m1/s1
InChI key： CFLVYJJIZHNITM-NLXMLWGDSA-N
SMILES： C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
Systematic name  (4)：
  • 7α-ヒドロキシ-3-オキソコラ-4-エン-24-酸
  • 3-オキソ-7α-ヒドロキシコラ-4-エン-24-酸
  • (4R)-4-[(1R,3aS,3bS,4R,9aR,9bS,11aR)-4-ヒドロキシ-9a,11a-ジメチル-7-オキソ-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-シクロペンタ[a]フェナントレン-1-イル]ペンタン酸
  • (4R)-4-[(1R,3aS,3bS,4R,9aR,9bS,11aR)-4-hydroxy-9a,11a-dimethyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]pentanoic acid
Other name (7)：
  • 3-Oxo-7α-hydroxychol-4-en-24-oic acid
  • 7α-Hydroxy-3-oxo-4-cholenoic acid
  • 7α-ヒドロキシ-3-オキソ4-コレン酸
  • 7α-ヒドロキシ-3-オキソ-4-コレン酸
  • 7α-Hydroxy-3-oxo-4-colenic acid
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