Trachelogenin

Molecule SVG Image

Properties Simple | Detailed

Formula C21H24O7
IUPAC Name (3s,4s)-4-[(3,4-dimethoxyphenyl)methyl]-3-hydroxy-3-[(4-hydroxy-3-methoxy-phenyl)methyl]tetrahydrofuran-2-one
Molecular Mass 388.411 g·mol−1
Heat of Formation -1011.4 ± 16.7 kJ·mol−1
Dipole Moment 1.96 ± 1.08 D
Volume 453.35 Å 3
Surface Area 390.0 Å 2
HOMO Energy -8.49 ± 0.55 eV
LUMO Energy -0.12 ± eV
Point Group Symmetry C1
Synonyms
  • (-)-trachelogenin
  • (3s,4s)-4-(3,4-dimethoxybenzyl)-3-hydroxy-3-(4-hydroxy-3-methoxy-benzyl)tetrahydrofuran-2-one
  • (3s,4s)-4-[(3,4-dimethoxyphenyl)methyl]-3-hydroxy-3-[(4-hydroxy-3-methoxy-phenyl)methyl]oxolan-2-one
  • (3s,4s)-4-[(3,4-dimethoxyphenyl)methyl]-3-hydroxy-3-[(4-hydroxy-3-methoxy-phenyl)methyl]tetrahydrofuran-2-one
  • (3s,4s)-4-[(3,4-dimethoxyphenyl)methyl]-3-hydroxy-3-[(4-hydroxy-3-methoxyphenyl)methyl]-2-tetrahydrofuranone
  • (3s,4s)-4-[(3,4-dimethoxyphenyl)methyl]-3-hydroxy-3-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one
  • 2(3h)-furanone, 4-((3,4-dimethoxyphenyl)methyl)dihydro-3-hydroxy-3-((4-hydroxy-3-methoxyphenyl)methyl)-, (3s,4s)-
  • 2(3h)-furanone, 4-[(3,4-dimethoxyphenyl)methyl]dihydro-3-hydroxy-3-[(4-hydroxy-3-methoxyphenyl)methyl]-, (3s,4s)-
  • 2(3h)-furanone, dihydro-3-hydroxy-3-vanillyl-4-veratryl-
  • acon1_002414
  • megxp0_001798
InChIKey YFVZKLQNMNKWSB-BTYIYWSLSA-N
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