(3β,16β,17Alpha,18β,20Alpha)-16-(Hydroxymethyl)-11,17-Dimethoxyyohimban-18-Ol

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Properties Simple | Detailed

Formula C22H30N2O4
IUPAC Name (1r,13r,15s,17r,18r,19r,20s)-19-(hydroxymethyl)-6,18-dimethoxy-11,12,14,15,16,17,18,19,20,21-decahydro-1h-yohimban-3-ium-2-ylium-17-ol
Molecular Mass 386.485 g·mol−1
Heat of Formation -607.4 ± 16.7 kJ·mol−1
Dipole Moment 1.57 ± 1.08 D
Volume 463.04 Å 3
Surface Area 376.72 Å 2
HOMO Energy -8.18 ± 0.55 eV
LUMO Energy 0.00 ± eV
Point Group Symmetry C1
Synonyms
  • 16,18-reserpinediol
  • reserpic alcohol
  • reserpinediol
  • yohimban-16-methanol, 18-hydroxy-11,17-dimethoxy-, (3beta,16beta,17alpha,18beta,20alpha)-
CAS Number(s)
  • 482-98-4
InChIKey YCLAQLTVHNAEEQ-UALTWCDSSA-N
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