Chem
J-GLOBAL ID：200907085476247786   Nikkaji number：J1.264.315B

3α-Hydroxycholane-24-oic acid

3α-ヒドロキシコラン-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： C24H40O3
Molecular formula furigana： C24-H40-O3
Molecular weight： 376.581
InChI： InChI=1S/C24H40O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h15-21,25H,4-14H2,1-3H3,(H,26,27)/t15-,16?,17-,18+,19-,20+,21+,23+,24-/m1/s1
InChI key： SMEROWZSTRWXGI-YPLGJCPNSA-N
SMILES： C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CCC4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Systematic name  (4)：
  • 3α-ヒドロキシコラン-24-酸
  • 3α-ヒドロキシ-コラン-24-酸
  • (4R)-4-[(1R,3aS,3bR,7R,9aS,9bS,11aR)-7-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,7R,9aS,9bS,11aR)-7-hydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]pentanoic acid
Other name (2)：
  • 3α-Hydroxycholan-24-oic acid
  • 3α-Hydroxy-cholan-24-oic acid
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