Chem
J-GLOBAL ID:200907037125637524   Nikkaji number:J1.415.186I

(1S)-2α-[2-[(1R,2R,5S)-2,5-Dimethyl-3-oxo-5-vinylcyclohexyl]-2-oxoethyl]-1-methyl-3-oxocyclohexanecarboxylic acid methyl ester

(1S)-2α-[2-[(1R,2R,5S)-2,5-ジメチル-3-オキソ-5-ビニルシクロヘキシル]-2-オキソエチル]-1-メチル-3-オキソシクロヘキサンカルボン酸メチル
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: C21H30O5
Molecular formula furigana: C21-H30-O5
Molecular weight: 362.466
InChI: InChI=1S/C21H30O5/c1-6-20(3)11-14(13(2)18(24)12-20)17(23)10-15-16(22)8-7-9-21(15,4)19(25)26-5/h6,13-15H,1,7-12H2,2-5H3/t13-,14-,15-,20+,21+/m1/s1
InChI key: RWSXWWVMLZQAJF-IGFNXFPRSA-N
SMILES: COC(=O)[C@@]1(C)CCCC(=O)[C@H]1CC(=O)[C@@H]1C[C@@](C)(CC(=O)[C@@H]1C)C=C
Systematic name  (4):
  • (1S)-1-メチル-2α-[2-オキソ-2-[2β,5α-ジメチル-3-オキソ-5-ビニルシクロヘキサン-1β-イル]エチル]-3-オキソシクロヘキサン-1α-カルボン酸メチル
  • (1S)-2α-[2-[(1R,2R,5S)-2,5-ジメチル-3-オキソ-5-ビニルシクロヘキシル]-2-オキソエチル]-1-メチル-3-オキソシクロヘキサンカルボン酸メチル
  • メチル (1S,2S)-2-{2-[(1R,2R,5S)-5-エテニル-2,5-ジメチル-3-オキソシクロヘキシル]-2-オキソエチル}-1-メチル-3-オキソシクロヘキサン-1-カルボキシラート
  • methyl (1S,2S)-2-{2-[(1R,2R,5S)-5-ethenyl-2,5-dimethyl-3-oxocyclohexyl]-2-oxoethyl}-1-methyl-3-oxocyclohexane-1-carboxylate
Other name (3):
  • (1S)-1-Methyl-2α-[2-oxo-2-[2β,5α-dimethyl-3-oxo-5-vinylcyclohexane-1β-yl]ethyl]-3-oxocyclohexane-1α-carboxylic acid methyl ester
  • (1S)-2α-[2-[(1R,2R,5S)-2,5-Dimethyl-3-oxo-5-vinylcyclohexyl]-2-oxoethyl]-1-methyl-3-oxocyclohexanecarboxylic acid methyl ester
  • Methyl [1S-[1α,2α(1S*,2S*,5R*)]]-2-[2-(2,5-Dimethyl-3-oxo-5-vinylcyclohexyl)-2-oxoethyl]-1-methyl-3-oxocyclohexane-1-carboxylate
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