Chem
J-GLOBAL ID：200907010825868831   Nikkaji number：J457.328E

3β,12α-Dihydroxychol-5-en-24-oic acid

3β,12α-ジヒドロキシコラ-5-エン-24-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： C24H38O4
Molecular formula furigana： C24-H38-O4
Molecular weight： 390.564
InChI： InChI=1S/C24H38O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h5,14,16-21,25-26H,4,6-13H2,1-3H3,(H,27,28)/t14-,16+,17+,18-,19+,20+,21+,23+,24-/m1/s1
InChI key： BSNCZSKCISVTHY-DNMQWNDWSA-N
SMILES： C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
Systematic name  (3)：
  • 3β,12α-ジヒドロキシコラ-5-エン-24-酸
  • (4R)-4-[(1R,3aS,3bR,7S,9aR,9bS,11S,11aR)-7,11-ジヒドロキシ-9a,11a-ジメチル-1H,2H,3H,3aH,3bH,4H,6H,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,3bR,7S,9aR,9bS,11S,11aR)-7,11-dihydroxy-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]pentanoic acid
Other name (1)：
  • 3β,12α-Dihydroxychol-5-en-24-oic acid
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