Chem
J-GLOBAL ID:200907026916126904   Nikkaji number:J150.278F

Methyl hyodeoxycholate

ヒオデオキシコール酸メチル
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: C25H42O4
Molecular formula furigana: C25-H42-O4
Molecular weight: 406.607
InChI: InChI=1S/C25H42O4/c1-15(5-8-23(28)29-4)18-6-7-19-17-14-22(27)21-13-16(26)9-11-25(21,3)20(17)10-12-24(18,19)2/h15-22,26-27H,5-14H2,1-4H3/t15-,16-,17+,18-,19+,20+,21+,22+,24-,25-/m1/s1
InChI key: BWDRDVHYVJQWBO-QWXHOCAMSA-N
SMILES: COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Systematic name  (3):
  • 3α,6α-ジヒドロキシ-5β-コラン-24-酸メチル
  • メチル (4R)-4-[(1R,3aS,3bS,5S,5aR,7R,9aR,9bS,11aR)-5,7-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]ペンタノアート
  • methyl (4R)-4-[(1R,3aS,3bS,5S,5aR,7R,9aR,9bS,11aR)-5,7-dihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]pentanoate
Other name (9):
  • ヒオデオキシコール酸メチル
  • メチルヒオデオキシコラート
  • Hyodeoxycholic acid methyl ester
  • Methyl hyodeoxycholate
  • 3α,6α-Dihydroxy-5β-cholan-24-oic acid methyl ester
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CAS registry number: 2868-48-6
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