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
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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:
C25 H40 O4
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
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