Chem
J-GLOBAL ID:200907050637966534   Nikkaji number:J699.683C

[(1S)-2-[(S)-2,2-Dimethyl-1,3-dioxolan-4-yl]-4-oxo-5α-(allyloxycarbonyl)-2-cyclopenten-1β-yl]malonic acid diethyl ester

[(1S)-2-[(S)-2,2-ジメチル-1,3-ジオキソラン-4-イル]-4-オキソ-5α-(アリルオキシカルボニル)-2-シクロペンテン-1β-イル]マロン酸ジエチル
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: C21H28O9
Molecular formula furigana: C21-H28-O9
Molecular weight: 424.446
InChI: InChI=1S/C21H28O9/c1-6-9-28-18(23)16-13(22)10-12(14-11-29-21(4,5)30-14)15(16)17(19(24)26-7-2)20(25)27-8-3/h6,10,14-17H,1,7-9,11H2,2-5H3/t14-,15+,16+/m1/s1
InChI key: MEPKMOMTIGGIPW-PMPSAXMXSA-N
SMILES: CCOC(=O)C([C@@H]1[C@@H](C(=O)OCC=C)C(=O)C=C1[C@H]1COC(C)(C)O1)C(=O)OCC
Systematic name  (3):
  • [(1S)-2-[(S)-2,2-ジメチル-1,3-ジオキソラン-4-イル]-4-オキソ-5α-(アリルオキシカルボニル)-2-シクロペンテン-1β-イル]マロン酸ジエチル
  • 1,3-ジエチル 2-[(1S,5R)-2-[(4S)-2,2-ジメチル-1,3-ジオキソラン-4-イル]-4-オキソ-5-[(プロパ-2-エン-1-イルオキシ)カルボニル]シクロペンタ-2-エン-1-イル]プロパンジオアート
  • 1,3-diethyl 2-[(1S,5R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-oxo-5-[(prop-2-en-1-yloxy)carbonyl]cyclopent-2-en-1-yl]propanedioate
Other name (1):
  • [(1S)-2-[(S)-2,2-Dimethyl-1,3-dioxolan-4-yl]-4-oxo-5α-(allyloxycarbonyl)-2-cyclopenten-1β-yl]malonic acid diethyl ester
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