Methyl (7As,8S,11Ar)-8-Ethyl-10-Methyl-6-Oxo-6,7,7A,8,9,10,11,12-Octahydropyrido[3',4':4,5]Cyclohepta[1,2-B]Indole-11A(5H)-Carboxylate

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Properties Simple | Detailed

Formula C21H26N2O3
IUPAC Name ervatamine
Molecular Mass 354.443 g·mol−1
Heat of Formation -396.7 ± 16.7 kJ·mol−1
Dipole Moment 3.79 ± 1.08 D
Volume 431.16 Å 3
Surface Area 355.83 Å 2
HOMO Energy -8.43 ± 0.55 eV
LUMO Energy -0.42 ± eV
Point Group Symmetry C1
Synonyms
  • 4-ethyl-2,3,4alpha,4aalpha,5,6,7,12-octahydro-2-methyl-6-oxopyrido(3',4':4,5)cyclohept(1,2-b)in dole-12aalpha(1h)-carboxylic acid methyl ester
  • epiervatamine
CAS Number(s)
  • 33257-13-5
InChIKey METLQVFFFUYXNT-QTPGKHNVSA-N
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