Chem
J-GLOBAL ID:200907003689057372   Nikkaji number:J130.589A

3α,7β-Diacetoxy-5β-cholan-24-oic acid methyl ester

3α,7β-ジアセトキシ-5β-コラン-24-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: C29H46O6
Molecular formula furigana: C29-H46-O6
Molecular weight: 490.681
InChI: InChI=1S/C29H46O6/c1-17(7-10-26(32)33-6)22-8-9-23-27-24(12-14-29(22,23)5)28(4)13-11-21(34-18(2)30)15-20(28)16-25(27)35-19(3)31/h17,20-25,27H,7-16H2,1-6H3/t17-,20+,21-,22-,23+,24+,25+,27+,28+,29-/m1/s1
InChI key: ZKHVKSAMEUAGEN-OSBYRPBFSA-N
SMILES: COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](C[C@@H]4C[C@@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)C)OC(=O)C
Systematic name  (4):
  • 3α,7β-ビス(アセチルオキシ)-5β-コラン-24-酸メチル
  • 3α,7β-ジアセトキシ-5β-コラン-24-酸メチル
  • メチル (4R)-4-[(1R,3aS,3bR,4S,5aS,7R,9aS,9bS,11aR)-4,7-ビス(アセチルオキシ)-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,3bR,4S,5aS,7R,9aS,9bS,11aR)-4,7-bis(acetyloxy)-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]pentanoate
Other name (2):
  • 3α,7β-Bis(acetyloxy)-5β-cholan-24-oic acid methyl ester
  • 3α,7β-Diacetoxy-5β-cholan-24-oic acid methyl ester
CAS registry number: 60384-30-7
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