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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

View entire compound with spectra: 1 MS (GC)

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
SpectraBase Compound ID DYGhKlJRKzk
InChI InChI=1S/C21H26N2O3/c1-4-13-11-23(2)12-21(20(25)26-3)10-15-14-7-5-6-8-17(14)22-19(15)18(24)9-16(13)21/h5-8,13,16,22H,4,9-12H2,1-3H3/t13-,16+,21+/m1/s1
InChIKey METLQVFFFUYXNT-QTPGKHNVSA-N
Mol Weight 354.45 g/mol
Molecular Formula C21H26N2O3
Exact Mass 354.194343 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hnad2bkotSm
Name 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
Alternate Name(s) Epiervatamine Ervatamine
CAS Registry Number 33257-13-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H26N2O3
InChI InChI=1S/C21H26N2O3/c1-4-13-11-23(2)12-21(20(25)26-3)10-15-14-7-5-6-8-17(14)22-19(15)18(24)9-16(13)21/h5-8,13,16,22H,4,9-12H2,1-3H3/t13-,16+,21+/m1/s1
InChIKey METLQVFFFUYXNT-QTPGKHNVSA-N
Molecular Weight 354.450 g/mol
SMILES [nH]1c2c(c3c1C(C[C@@]1([C@](C3)(CN(C[C@]1(CC)[H])C)C(=O)OC)[H])=O)cccc2
SPLASH splash10-0f8a-0955000000-a0e32da4891183187537
Source of Spectrum B-28-1837-0
Wiley ID 1344743