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Pyrido[3',4':4,5]cyclohept[1,2-b]indole-12a(1H)-carboxylic acid, 4-ethylidene-2,3,4,4a,5,6,7,12-octahydro-2-methyl-6-oxo-, methyl ester

View entire compound with spectra: 1 MS (GC)

Pyrido[3',4':4,5]cyclohept[1,2-b]indole-12a(1H)-carboxylic acid, 4-ethylidene-2,3,4,4a,5,6,7,12-octahydro-2-methyl-6-oxo-, methyl ester
SpectraBase Compound ID KT7n6HoEcJJ
InChI InChI=1S/C21H24N2O3/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/h4-8,16,22H,9-12H2,1-3H3/b13-4+
InChIKey NFUNVPXUVUEVKF-YIXHJXPBSA-N
Mol Weight 352.43 g/mol
Molecular Formula C21H24N2O3
Exact Mass 352.178693 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BhPTSDstr9l
Name Pyrido[3',4':4,5]cyclohept[1,2-b]indole-12a(1H)-carboxylic acid, 4-ethylidene-2,3,4,4a,5,6,7,12-octahydro-2-methyl-6-oxo-, methyl ester
CAS Registry Number 33228-82-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H24N2O3
InChI InChI=1S/C21H24N2O3/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/h4-8,16,22H,9-12H2,1-3H3/b13-4+
InChIKey NFUNVPXUVUEVKF-YIXHJXPBSA-N
Molecular Weight 352.434 g/mol
SMILES [nH]1c2c(c3c1C(CC1C(C3)(CN(C\C1=C\C)C)C(=O)OC)=O)cccc2
SPLASH splash10-0f8c-0917000000-ee02e28b0ac282db2e85
Source of Spectrum B-28-1837-0
Synonyms 19-Dehydroervatamine Dehydroervatamine Ervatamine, 19,20-didehydro- Methyl (4Z)-4-ethylidene-2-methyl-6-oxo-2,3,4,4a,5,6,7,12-octahydropyrido[3',4':4,5]cyclohepta[1,2-b]indole-12a(1H)-carboxylate
Wiley ID 1343425