(3Z,4R)-4-(1,3-Benzodioxol-5-Ylmethyl)-3-(3,4,5-Trimethoxybenzylidene)Dihydro-2(3H)-Furanone

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Formula C22H22O7
IUPAC Name (3z,4r)-4-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4,5-trimethoxyphenyl)methylene]tetrahydrofuran-2-one
Molecular Mass 398.406 g·mol−1
Heat of Formation -817.5 ± 16.7 kJ·mol−1
Dipole Moment 2.92 ± 1.08 D
Volume 460.78 Å 3
Surface Area 398.07 Å 2
HOMO Energy -8.86 ± 0.55 eV
LUMO Energy -0.39 ± eV
Point Group Symmetry C1
Synonyms
  • (3z,4r)-4-(1,3-benzodioxol-5-ylmethyl)-3-(3,4,5-trimethoxybenzylidene)tetrahydrofuran-2-one
  • (3z,4r)-4-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4,5-trimethoxyphenyl)methylene]-2-tetrahydrofuranone
  • (3z,4r)-4-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4,5-trimethoxyphenyl)methylene]tetrahydrofuran-2-one
  • (3z,4r)-4-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4,5-trimethoxyphenyl)methylidene]oxolan-2-one
  • 4-benzo[1,3]dioxol-5-ylmethyl-3-(3,4,5-trimethoxy-benzylidene)-dihydro-furan-2-one
InChIKey CJLVKDPRUXBTJQ-BESIOYJRSA-N
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