Yohimbic Acid

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Properties Simple | Detailed

Formula C20H24N2O3
IUPAC Name (1s,13r,15r,18s,19r,20s)-18-hydroxy-3,11,12,13,14,15,16,17,18,19,20,21-dodecahydro-1h-yohimban-13-ium-19-carboxylate
Molecular Mass 340.416 g·mol−1
Heat of Formation -448.9 ± 16.7 kJ·mol−1
Dipole Moment 2.40 ± 1.08 D
Volume 401.6 Å 3
Surface Area 342.28 Å 2
HOMO Energy -8.21 ± 0.55 eV
LUMO Energy 0.09 ± eV
Point Group Symmetry C1
Synonyms
  • 17.alpha.-hydroxyyohimban-16.alpha.-carboxylic acid
  • 17alpha-hydroxy-3alpha,15alpha,20beta-yohimban-16alpha-carbonsaeure
  • 17alpha-hydroxyyohimban-16alpha-carboxylic acid
  • bb_nc-0780
  • bpbio1_000484
  • yohimban-16-carboxylic acid, 17-hydroxy-, (16.alpha.,17.alpha.)-
  • yohimban-16-carboxylic acid, 17-hydroxy-, (16alpha,17alpha)- (9ci)
  • yohimbinic acid
  • yohimbinsaeure
InChIKey AADVZSXPNRLYLV-GKMXPDSGSA-N
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