18B-Hydroxy-11,17A-Dimethoxy-3B,20A-Yohimban-16B-Carboxylic Acid

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Properties Simple | Detailed

Formula C22H28N2O5
IUPAC Name (1r,13s,15s,17r,18r,19s,20s)-17-hydroxy-6,18-dimethoxy-11,12,14,15,16,17,18,19,20,21-decahydro-1h-yohimban-3-ium-2-ylium-19-carboxylic acid
Molecular Mass 400.468 g·mol−1
Heat of Formation -752.6 ± 16.7 kJ·mol−1
Dipole Moment 4.60 ± 1.08 D
Volume 468.02 Å 3
Surface Area 390.27 Å 2
HOMO Energy -8.02 ± 0.55 eV
LUMO Energy 0.14 ± eV
Point Group Symmetry C1
Synonyms
  • (3beta,16beta,17alpha,18beta,20alpha)-18-hydroxy-11,17-dimethoxyyohimban-16-carboxylic acid
  • 18beta-hydroxy-11,17alpha-dimethoxy-3beta,20alpha-yohimban-16beta-carboxylic acid
  • 3.beta.,20.alpha.-yohimban-16.beta.-carboxylic acid, 18.beta.-hydroxy-11,17.alpha.-dimethoxy-
  • 3beta,20alpha-yohimban-16beta-carboxylic acid, 18beta-hydroxy-11,17alpha-dimethoxy- (8ci)
  • bpbio1_001153
  • reserpic acid
  • reserpinolic acid
  • yohimban-16-carboxylic acid, 18-hydroxy-11,17-dimethoxy-, (3.beta.,16.beta.,17.alpha.,18.beta.,20.alpha.)-
  • yohimban-16-carboxylic acid, 18-hydroxy-11,17-dimethoxy-, (3beta,16beta,17alpha,18beta,20alpha)- (9ci)
CAS Number(s)
  • 83-60-3
InChIKey JVHNBFFHWQQPLL-WOXROFTLSA-N
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