Methyl 18β-Hydroxy-11,17Alpha-Dimethoxy-3β,20Alpha-Yohimban-16β-Carboxylate

Molecule SVG Image

Properties Simple | Detailed

Formula C23H30N2O5
IUPAC Name methyl (1r,13r,15s,17r,18r,19s,20s)-17-hydroxy-6,18-dimethoxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate
Molecular Mass 414.495 g·mol−1
Heat of Formation -758.7 ± 16.7 kJ·mol−1
Dipole Moment 4.10 ± 1.08 D
Volume 494.78 Å 3
Surface Area 398.54 Å 2
HOMO Energy -8.14 ± 0.55 eV
LUMO Energy 0.03 ± eV
Point Group Symmetry C1
Synonyms
  • 3-beta,20-alpha-yohimban-16-beta-carboxylic acid, 18-beta-hydroxy-11,17-alpha-dimethoxy-, methyl ester
  • 3beta,20alpha-yohimban-16beta-carboxylic acid, 18beta-hydroxy-11,17alpha-dimethoxy-, methyl ester (8ci)
  • methyl (3beta,16beta,17alpha,18beta,20alpha)-18-hydroxy-11,17-dimethoxyyohimban-16-carboxylate
  • mr
  • yohimban-16-carboxylic acid, 18-hydroxy-11,17-dimethoxy-, methyl ester, (3beta,16beta,17alpha,18beta,20alpha)- (9ci)
InChIKey MDJQWFFIUHUJSB-UQVJXISSSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N