(3S,4S)-3-(4-Hydroxy-3,5-Dimethoxybenzyl)-4-(4-Hydroxy-3-Methoxybenzyl)Dihydro-2(3H)-Furanone

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Properties Simple | Detailed

Formula C21H24O7
IUPAC Name (3s,4s)-3-[(4-hydroxy-3,5-dimethoxy-phenyl)methyl]-4-[(4-hydroxy-3-methoxy-phenyl)methyl]tetrahydrofuran-2-one
Molecular Mass 388.411 g·mol−1
Heat of Formation -1077.5 ± 16.7 kJ·mol−1
Dipole Moment 3.93 ± 1.08 D
Volume 455.96 Å 3
Surface Area 338.91 Å 2
HOMO Energy -8.67 ± 0.55 eV
LUMO Energy -0.02 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,4s)-3-(4-hydroxy-3,5-dimethoxy-benzyl)-4-(4-hydroxy-3-methoxy-benzyl)tetrahydrofuran-2-one
  • (3s,4s)-3-[(4-hydroxy-3,5-dimethoxy-phenyl)methyl]-4-[(4-hydroxy-3-methoxy-phenyl)methyl]oxolan-2-one
  • (3s,4s)-3-[(4-hydroxy-3,5-dimethoxy-phenyl)methyl]-4-[(4-hydroxy-3-methoxy-phenyl)methyl]tetrahydrofuran-2-one
  • (3s,4s)-3-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-4-[(4-hydroxy-3-methoxyphenyl)methyl]-2-tetrahydrofuranone
  • (3s,4s)-3-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-4-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one
  • 2(3h)-furanone, dihydro-3-((4-hydroxy-3,5-dimethoxyphenyl)methyl)-4-((4-hydroxy-3-methoxyphenyl)methyl)-, (3s-trans)-
CAS Number(s)
  • 6512-67-0
InChIKey XMLWGUKRPGLJGA-CABCVRRESA-N
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