Methyl (14β,16Alpha,17Alpha)-14-(Benzoyloxy)-17-Hydroxyyohimban-16-Carboxylate

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Properties Simple | Detailed

Formula C28H30N2O5
IUPAC Name methyl (1r,15r,18s,19r,20s,21r)-21-benzoyloxy-18-hydroxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate
Molecular Mass 474.548 g·mol−1
Heat of Formation -650.1 ± 16.7 kJ·mol−1
Dipole Moment 5.79 ± 1.08 D
Volume 562.61 Å 3
Surface Area 434.13 Å 2
HOMO Energy -8.02 ± 0.55 eV
LUMO Energy 2.53 ± eV
Point Group Symmetry C1
Synonyms
  • 14-benzoyloxyyohimbine
  • 14beta-benzoyloxyyohimbine
  • yohimban-16-carboxylic acid, 14-(benzoyloxy)-17-hydroxy-, methyl ester, (14beta,16alpha,17alpha)-
CAS Number(s)
  • 90362-87-1
InChIKey QBCDFIYIMPXGPX-TWSHGPBOSA-N
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