Ajmalicine

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Properties Simple | Detailed

Formula C21H24N2O3
IUPAC Name methyl (1s,13r,15r,16s,20s)-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,18-pentaene-19-carboxylate
Molecular Mass 352.427 g·mol−1
Heat of Formation -312.7 ± 16.7 kJ·mol−1
Dipole Moment 4.29 ± 1.08 D
Volume 417.25 Å 3
Surface Area 357.92 Å 2
HOMO Energy -8.21 ± 0.55 eV
LUMO Energy 0.08 ± eV
Point Group Symmetry C1
Synonyms
  • (16e,19s)-17,19-epoxy-coryn-16-ene-16-carboxylic acid methyl ester; delta-yohimbin
  • (19alpha)-16,17-didehydro-19-methyl-oxayohimban-16-carboxylic acid methyl ester
  • (19s)-17,19-epoxy-coryn-16-ene-16-carboxylic acid methyl ester
  • 16,17-didehydro-19-methyloxayohimban-16-carboxylic acid methyl ester
  • 19alpha-methyl-18-oxa-yohimb-16-ene-16-carboxylic acid methyl ester
  • 4373-34-6 (hcl)
  • 483-04-5 (free base )
  • 8-methyl-5,6,7a,8,11a,12,12a,13-octahydro-7h-9-oxa-6a,13-diaza-indeno[2,1-a]anthracene-11-carboxylic acid methyl ester
  • acon1_001630
  • bpbio1_000512
  • delta-yohimbine
  • megxp0_001818
  • methyl (19-methyl-16,17-dehydro-18-oxa-3alpha,15alpha,19beta,20beta-yohimban-16-carboxylat)
  • methyl 16,17-didehydro-19alpha-methyl-18-oxayohimban-16-carboxylat
  • methyl 19-methyl-16,17-didehydrooxayohimban-16-carboxylate
  • oxayohimban-16-carboxylic acid, 16,17-didehydro-19-methyl-, methyl ester, (19-.alpha).-
  • oxayohimban-16-carboxylic acid, 16,17-didehydro-19-methyl-, methyl ester, (19-alpha)- (9ci)
  • oxayohimban-16-carboxylic acid, 16,17-didehydro-19-methyl-, methyl ester, (19alpha)-
CAS Number(s)
  • 483-04-5
InChIKey GRTOGORTSDXSFK-XJTZBENFSA-N
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