Chem
J-GLOBAL ID：200907037605230645   Nikkaji number：J39.832B

3α,12β-Dihydroxy-5β-cholan-24-oic acid

3α,12β-ジヒドロキシ-5β-コラン-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： C24H40O4
Molecular formula furigana： C24-H40-O4
Molecular weight： 392.580
InChI： InChI=1S/C24H40O4/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/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16-,17+,18-,19+,20+,21-,23+,24-/m1/s1
InChI key： KXGVEGMKQFWNSR-MFSKYVBHSA-N
SMILES： C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@]12C
Systematic name  (3)：
  • 3α,12β-ジヒドロキシ-5β-コラン-24-酸
  • (4R)-4-[(1R,3aS,3bR,5aR,7R,9aS,9bS,11R,11aR)-7,11-ジヒドロキシ-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-1-イル]ペンタン酸
  • (4R)-4-[(1R,3aS,3bR,5aR,7R,9aS,9bS,11R,11aR)-7,11-dihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]pentanoic acid
Other name (5)：
  • 12-エピデオキシコール酸
  • 12-epi-デオキシコール酸
  • 12-Epideoxycholic acid
  • 12-epi-Deoxycholic acid
  • 3α,12β-Dihydroxy-5β-cholan-24-oic acid
CAS registry number： 570-62-7
KEGG COMPOUND： C17646
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