Chem
J-GLOBAL ID:200907017622143542   Nikkaji number:J141.957I

3,7,12-Trioxocholan-24-oic acid methyl ester

3,7,12-トリオキソコラン-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: C25H36O5
Molecular formula furigana: C25-H36-O5
Molecular weight: 416.558
InChI: InChI=1S/C25H36O5/c1-14(5-8-22(29)30-4)17-6-7-18-23-19(13-21(28)25(17,18)3)24(2)10-9-16(26)11-15(24)12-20(23)27/h14-15,17-19,23H,5-13H2,1-4H3/t14-,15?,17-,18+,19+,23+,24+,25-/m1/s1
InChI key: ZNRVRJLOYAQJBW-MXYUTASWSA-N
SMILES: COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC(=O)[C@]12C)[C@@]1(C)CCC(=O)CC1CC3=O
Systematic name  (3):
  • 3,7,12-トリオキソコラン-24-酸メチル
  • メチル (4R)-4-[(1R,3aS,3bR,9aS,9bS,11aR)-9a,11a-ジメチル-4,7,11-トリオキソ-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,3bR,9aS,9bS,11aR)-9a,11a-dimethyl-4,7,11-trioxo-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]pentanoate
Other name (1):
  • 3,7,12-Trioxocholan-24-oic acid methyl ester
CAS registry number: 55555-42-5
Thsaurus map:

Return to Previous Page