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

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Properties Simple | Detailed

Formula C21H22O6
IUPAC Name (3r,4r)-4-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4-dimethoxyphenyl)methyl]tetrahydrofuran-2-one
Molecular Mass 370.396 g·mol−1
Heat of Formation -802.5 ± 16.7 kJ·mol−1
Dipole Moment 6.34 ± 1.08 D
Volume 433.02 Å 3
Surface Area 326.05 Å 2
HOMO Energy -8.48 ± 0.55 eV
LUMO Energy -0.19 ± eV
Point Group Symmetry C1
Synonyms
  • (3r,4r)-4-(1,3-benzodioxol-5-ylmethyl)-3-(3,4-dimethoxybenzyl)tetrahydrofuran-2-one
  • (3r,4r)-4-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4-dimethoxyphenyl)methyl]-2-tetrahydrofuranone
  • (3r,4r)-4-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4-dimethoxyphenyl)methyl]oxolan-2-one
  • (3r,4r)-4-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4-dimethoxyphenyl)methyl]tetrahydrofuran-2-one
  • (3r-trans)-4-(1,3-benzodioxol-5-ylmethyl)-3-((3,4-dimethoxyphenyl)methyl)dihydro-2(3h)-furanone
  • 2(3h)-furanone, 4-(1,3-benzodioxol-5-ylmethyl)-3-((3,4-dimethoxyphenyl)methyl)dihydro-, (3r-trans)-
  • bursehernin
CAS Number(s)
  • 40456-51-7
InChIKey IYBDDRJHJMFFBB-JKSUJKDBSA-N
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