(+)-Yohimbine

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Properties Simple | Detailed

Formula C21H26N2O3
IUPAC Name methyl (1s,13r,15r,18s,19r,20s)-18-hydroxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate
Molecular Mass 354.443 g·mol−1
Heat of Formation -426.8 ± 16.7 kJ·mol−1
Dipole Moment 2.67 ± 1.08 D
Volume 422.8 Å 3
Surface Area 361.04 Å 2
HOMO Energy -8.14 ± 0.55 eV
LUMO Energy 0.15 ± eV
Point Group Symmetry C1
Synonyms
  • (+)-yohimbin
  • (16alpha,17alpha)-17-hydroxy-yohimban-16-carboxylic acid methyl ester
  • (16alpha,17alpha)-17-hydroxyyohimban-16-carboxylic acid methyl ester
  • 146-48-5 (free base)
  • 17-hydroxy-yohimbane-16-carboxylic acid methyl ester
  • 17-hydroxyyohimban-16-carboxylic acid methyl ester
  • 17alpha-hydroxyyohimban-16alpha-carboxylic acid methyl ester
  • 2-hydroxy-1,2,3,4,4a,5,7,8,13,13b,14,14a-dodecahydro-indolo[2',3':3,4]pyrido[1,2-b]isoquinoline-1-carboxylic acid methyl ester
  • 65-19-0 (hcl)
  • aphrodine
  • bb_nc-1430
  • bcbcmap01_000032
  • benz[g]indolo[2,3-a]quinolizine, yohimban-16-carboxylic acid deriv.
  • bio1_000455
  • bio1_000944
  • bio1_001433
  • bio2_000458
  • bio2_000938
  • bpbio1_000472
  • johimbin
  • methyl 17alpha-hydroxyyohimban-16alpha-carboxylate
  • quebrachin
  • quebrachine
  • smp1_000320
  • yohimban-16-.alpha.-carboxylic acid, 17-.alpha.-hydroxy-, methyl ester
  • yohimban-16-alpha-carboxylic acid, 17-alpha-hydroxy-, methyl ester
  • yohimban-16-carboxylic acid, 17-hydroxy-, methyl ester, (16alpha,17alpha)-
  • yohimban-16-carboxylic acid, 17-hydroxy-, methyl ester, (16alpha,17alpha)- (9ci)
  • yohimban-16alpha-carboxylic acid, 17alpha-hydroxy-, methyl ester (8ci)
  • yohimbic acid methyl ester
  • yohimbin
  • yohimbine
  • yohimbol-16alpha-carboxylic acid, methyl ester (6ci)
CAS Number(s)
  • 146-48-5
InChIKey BLGXFZZNTVWLAY-SCYLSFHTSA-N
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