Chem
J-GLOBAL ID：200907000058643840   Nikkaji number：J2.462.485D

4-Oxo-3-oxa-A-homo-5β-cholane-24-oic acid methyl ester

4-オキソ-3-オキサ-A-ホモ-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： C25H40O4
Molecular formula furigana： C25-H40-O4
Molecular weight： 404.591
InChI： InChI=1S/C25H40O4/c1-16(5-10-22(26)28-4)19-8-9-20-18-7-6-17-15-23(27)29-14-13-24(17,2)21(18)11-12-25(19,20)3/h16-21H,5-15H2,1-4H3/t16-,17-,18+,19-,20+,21+,24+,25-/m1/s1
InChI key： RCDCKSFQMWGPGY-DMARDYMASA-N
SMILES： COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)OCC[C@]4(C)[C@H]3CC[C@]12C
Systematic name  (3)：
  • 4-オキソ-3-オキサ-A-ホモ-5β-コラン-24-酸メチル
  • メチル (4R)-4-[(1S,2S,8R,11R,12S,15R,16R)-2,16-ジメチル-6-オキソ-5-オキサテトラシクロ[9.7.0.02,8.012,16]オクタデカン-15-イル]ペンタノアート
  • methyl (4R)-4-[(1S,2S,8R,11R,12S,15R,16R)-2,16-dimethyl-6-oxo-5-oxatetracyclo[9.7.0.02,8.012,16]octadecan-15-yl]pentanoate
Other name (1)：
  • 4-Oxo-3-oxa-A-homo-5β-cholane-24-oic acid methyl ester
Thsaurus map：
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