Chem
J-GLOBAL ID：200907072346485915   Nikkaji number：J2.050.103K

7β-Acetoxy-5β-hydroxy-3-oxocholane-24-oic acid methyl ester

7β-アセトキシ-5β-ヒドロキシ-3-オキソコラン-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： C27H42O6
Molecular formula furigana： C27-H42-O6
Molecular weight： 462.627
InChI： InChI=1S/C27H42O6/c1-16(6-9-23(30)32-5)19-7-8-20-24-21(11-12-25(19,20)3)26(4)13-10-18(29)14-27(26,31)15-22(24)33-17(2)28/h16,19-22,24,31H,6-15H2,1-5H3/t16-,19-,20+,21+,22+,24+,25-,26-,27-/m1/s1
InChI key： QEMQJIIIPCJRAI-MGVABBDDSA-N
SMILES： COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](C[C@]4(O)CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)C
Systematic name  (3)：
  • 7β-アセトキシ-5β-ヒドロキシ-3-オキソコラン-24-酸メチル
  • メチル (4R)-4-[(1R,3aS,3bS,4S,5aS,9aR,9bS,11aR)-4-(アセチルオキシ)-5a-ヒドロキシ-9a,11a-ジメチル-7-オキソ-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,4S,5aS,9aR,9bS,11aR)-4-(acetyloxy)-5a-hydroxy-9a,11a-dimethyl-7-oxo-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]pentanoate
Other name (1)：
  • 7β-Acetoxy-5β-hydroxy-3-oxocholane-24-oic acid methyl ester
Thsaurus map：
Thesaurus Map

Return to Previous Page

TOP

BOTTOM