Deoxypodorhizone

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Properties Simple | Detailed

Formula C22H24O7
IUPAC Name (3r,4r)-4-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4,5-trimethoxyphenyl)methyl]tetrahydrofuran-2-one
Molecular Mass 400.422 g·mol−1
Heat of Formation -956.2 ± 16.7 kJ·mol−1
Dipole Moment 5.98 ± 1.08 D
Volume 464.67 Å 3
Surface Area 345.59 Å 2
HOMO Energy -8.87 ± 0.55 eV
LUMO Energy -0.11 ± eV
Point Group Symmetry C1
Synonyms
  • (3r,4r)-4-(1,3-benzodioxol-5-ylmethyl)-3-(3,4,5-trimethoxybenzyl)tetrahydrofuran-2-one
  • (3r,4r)-4-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4,5-trimethoxyphenyl)methyl]-2-tetrahydrofuranone
  • (3r,4r)-4-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-one
  • (3r,4r)-4-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4,5-trimethoxyphenyl)methyl]tetrahydrofuran-2-one
  • 2(3h)-furanone, 4-(1,3-benzodioxol-5-ylmethyl)dihydro-3-[(3,4,5-trimethoxyphenyl)methyl]-, (3r,4r)-
  • dihydroanhydropodorhizol
  • rd4-6277
CAS Number(s)
  • 40456-50-6
InChIKey GMLDZDDTZKXJLU-JKSUJKDBSA-N
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