Chem
J-GLOBAL ID：200907038668249644   Nikkaji number：J130.587E

3α,6α-Diacetoxy-5β-cholane-24-oic acid methyl ester

3α,6α-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(7-10-27(32)33-6)22-8-9-23-21-16-26(35-19(3)31)25-15-20(34-18(2)30)11-13-29(25,5)24(21)12-14-28(22,23)4/h17,20-26H,7-16H2,1-6H3/t17-,20-,21+,22-,23+,24+,25+,26+,28-,29-/m1/s1
InChI key： WNTBZUNELXADHT-CTNWHNCBSA-N
SMILES： COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@H](OC(=O)C)[C@@H]4C[C@@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)C
Systematic name  (4)：
  • 3α,6α-ビス(アセチルオキシ)-5β-コラン-24-酸メチル
  • 3α,6α-ジアセトキシ-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-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,3bS,5S,5aR,7R,9aR,9bS,11aR)-5,7-bis(acetyloxy)-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]pentanoate
Other name (2)：
  • 3α,6α-Bis(acetyloxy)-5β-cholan-24-oic acid methyl ester
  • 3α,6α-Diacetoxy-5β-cholane-24-oic acid methyl ester
CAS registry number： 1181-65-3
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