Methyl (19α,20α)-10-Methoxy-19-Methyl-16,17-Didehydro-18-Oxayohimban-16-Carboxylate

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Properties Simple | Detailed

Formula C22H26N2O4
IUPAC Name methyl (1s,13r,15s,16s,20s)-7-methoxy-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4(9),5,7,18-pentaene-19-carboxylate
Molecular Mass 382.453 g·mol−1
Heat of Formation -482.7 ± 16.7 kJ·mol−1
Dipole Moment 4.40 ± 1.08 D
Volume 452.38 Å 3
Surface Area 386.53 Å 2
HOMO Energy -8.13 ± 0.55 eV
LUMO Energy 0.01 ± eV
Point Group Symmetry C1
Synonyms
  • (-)-aricine
  • aricin
  • cinchovatin
  • heterophyllin
  • heterophylline
  • heterophylline (rauwolfia)
  • oxayohimban-16-carboxylic acid, 16, 17-didehydro-10-methoxy-19-methyl-, methyl ester, (19.alpha., 20.alpha.)-
  • oxayohimban-16-carboxylic acid, 16,17-didehydro-10-methoxy-19-methyl-, methyl ester, (19.alpha.,20.alpha.)-
CAS Number(s)
  • 482-91-7
InChIKey DTDADHMBRZKXSC-GKASHWOUSA-N
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