(3S,4R)-4-(1,3-Benzodioxol-5-Ylmethyl)-3-[(S)-Hydroxy(3,4,5-Trimethoxyphenyl)Methyl]Dihydro-2(3H)-Furanone

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Formula C22H24O8
IUPAC Name (3s,4r)-4-(1,3-benzodioxol-5-ylmethyl)-3-[(s)-hydroxy-(3,4,5-trimethoxyphenyl)methyl]tetrahydrofuran-2-one
Molecular Mass 416.421 g·mol−1
Heat of Formation -1127.7 ± 16.7 kJ·mol−1
Dipole Moment 5.14 ± 1.08 D
Volume 472.69 Å 3
Surface Area 347.45 Å 2
HOMO Energy -8.43 ± 0.55 eV
LUMO Energy 2.86 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,4r)-4-(1,3-benzodioxol-5-ylmethyl)-3-[(s)-hydroxy(3,4,5-trimethoxyphenyl)methyl]dihydrofuran-2(3h)-one
  • (3s,4r)-4-(1,3-benzodioxol-5-ylmethyl)-3-[(s)-hydroxy-(3,4,5-trimethoxyphenyl)methyl]-2-tetrahydrofuranone
  • (3s,4r)-4-(1,3-benzodioxol-5-ylmethyl)-3-[(s)-hydroxy-(3,4,5-trimethoxyphenyl)methyl]oxolan-2-one
  • (3s,4r)-4-(1,3-benzodioxol-5-ylmethyl)-3-[(s)-hydroxy-(3,4,5-trimethoxyphenyl)methyl]tetrahydrofuran-2-one
InChIKey UNWCWBJEKCTIML-PNHOKKKMSA-N
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