Chem
J-GLOBAL ID：200907074224958807   Nikkaji number：J361.037C

6β-Hydroxycholic acid

6α-ヒドロキシコール酸
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： C24H40O6
Molecular formula furigana： C24-H40-O6
Molecular weight： 424.578
InChI： InChI=1S/C24H40O6/c1-12(4-7-19(27)28)14-5-6-15-20-16(11-18(26)24(14,15)3)23(2)9-8-13(25)10-17(23)21(29)22(20)30/h12-18,20-22,25-26,29-30H,4-11H2,1-3H3,(H,27,28)/t12-,13-,14-,15+,16+,17+,18+,20+,21-,22+,23-,24-/m1/s1
InChI key： COCMFMBNEAMQMA-NQTCFNIESA-N
SMILES： C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)[C@H](O)[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
Systematic name  (3)：
  • 3α,6α,7α,12α-テトラヒドロキシ-5β-コラン-24-酸
  • (4R)-4-[(1R,3aS,3bR,4S,5R,5aR,7R,9aR,9bS,11S,11aR)-4,5,7,11-テトラヒドロキシ-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,4S,5R,5aR,7R,9aR,9bS,11S,11aR)-4,5,7,11-tetrahydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]pentanoic acid
Other name (3)：
  • 6α-ヒドロキシコール酸
  • 6β-Hydroxycholic acid
  • 3α,6α,7α,12α-Tetrahydroxy-5β-cholan-24-oic acid
Thsaurus map：
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