Chem
J-GLOBAL ID:200907050980628512   Nikkaji number:J1.550.421H

(3S)-3β-Ethyl-5-methyl-5α-(1,3-benzodioxole-4-yl)-4,5-dihydrofuran-2(3H)-one

(3S,5R)-5-(2H-1,3-ベンゾジオキソール-4-イル)-3-エチル-5-メチルオキソラン-2-オン
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: C14H16O4
Molecular formula furigana: C14-H16-O4
Molecular weight: 248.278
InChI: InChI=1S/C14H16O4/c1-3-9-7-14(2,18-13(9)15)10-5-4-6-11-12(10)17-8-16-11/h4-6,9H,3,7-8H2,1-2H3/t9-,14+/m0/s1
InChI key: AWYFTBUWIJXTRY-LKFCYVNXSA-N
SMILES: CC[C@H]1C[C@@](C)(OC1=O)c1cccc2OCOc12
Systematic name  (3):
  • (3S)-3β-エチル-5-メチル-5α-(1,3-ベンゾジオキソール-4-イル)-4,5-ジヒドロフラン-2(3H)-オン
  • (3S,5R)-5-(2H-1,3-ベンゾジオキソール-4-イル)-3-エチル-5-メチルオキソラン-2-オン
  • (3S,5R)-5-(2H-1,3-benzodioxol-4-yl)-3-ethyl-5-methyloxolan-2-one
Other name (1):
  • (3S)-3β-Ethyl-5-methyl-5α-(1,3-benzodioxole-4-yl)-4,5-dihydrofuran-2(3H)-one
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