11,17α-Dimethoxy-16Beta-Methoxycarbonyl-3Beta,20α-Yohimban-18Beta-Yl (E)-4-Hydroxy-3-Methoxycinnamat

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Formula C33H38N2O8
IUPAC Name methyl (1r,13r,15s,17r,18r,19s,20s)-17-[(e)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoyl]oxy-6,18-dimethoxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate
Molecular Mass 590.663 g·mol−1
Heat of Formation -1089.5 ± 16.7 kJ·mol−1
Dipole Moment 1.81 ± 1.08 D
Volume 694.26 Å 3
Surface Area 575.23 Å 2
HOMO Energy -8.11 ± 0.55 eV
LUMO Energy -0.82 ± eV
Point Group Symmetry C1
Synonyms
  • cd 3400
  • cd-3400
  • d01894
  • methyl o-(4-hydroxy-3-methoxycinnamoyl)reserpate
  • rescimetol (jan/inn)
  • yohimban-16-carboxylic acid, 18-((3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propenyl)oxy)-11,17-dimethoxy-, methyl ester, (3-beta,16-beta,17-alpha,18-beta,20-alpha)-
CAS Number(s)
  • 35440-49-4
InChIKey MMUMZMIKZXSFSD-ADSVITMPSA-N
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