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Pyrido[3',4':4,5]cyclohept[1,2-b]indole-12a(1H)-carboxylic acid, 4-ethyl-2,3,4,4a,5,6,7,12-octahydro-2-methyl-6-oxo-, monohydrochloride, [4S-(4.alpha.,4a.alpha.,12a.alpha.)]-
SpectraBase Compound ID 2WDkq9eLsfc
InChI InChI=1S/C20H24N2O3/c1-3-12-10-22(2)11-20(19(24)25)9-14-13-6-4-5-7-16(13)21-18(14)17(23)8-15(12)20/h4-7,12,15,21H,3,8-11H2,1-2H3,(H,24,25)
InChIKey VDGYUZVQTOYQBX-UHFFFAOYSA-N
Mol Weight 340.42 g/mol
Molecular Formula C20H24N2O3
Exact Mass 340.178693 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B2nO6e2vgQq
Name Pyrido[3',4':4,5]cyclohept[1,2-b]indole-12a(1H)-carboxylic acid, 4-ethyl-2,3,4,4a,5,6,7,12-octahydro-2-methyl-6-oxo-, monohydrochloride, [4S-(4.alpha.,4a.alpha.,12a.alpha.)]-
Alternate Name(s) 4-Ethyl-2-methyl-6-oxo-2,3,4,4a,5,6,7,12-octahydropyrido[3',4':4,5]cyclohepta[1,2-b]indole-12a(1H)-carboxylic acid Ervataminic acid Ervataminic acid hydrochloride Pyrido[3',4':4,5]cyclohept[1,2-b]indole-12a(1H)-carboxylic acid, 4-ethyl-2,3,4,4a,5,6,7,12-octahydro-2-methyl-6-oxo-,
CAS Registry Number 57101-72-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H24N2O3
InChI InChI=1S/C20H24N2O3/c1-3-12-10-22(2)11-20(19(24)25)9-14-13-6-4-5-7-16(13)21-18(14)17(23)8-15(12)20/h4-7,12,15,21H,3,8-11H2,1-2H3,(H,24,25)
InChIKey VDGYUZVQTOYQBX-UHFFFAOYSA-N
Molecular Weight 340.423 g/mol
SMILES [nH]1c2c(c3c1C(CC1C(C(=O)O)(C3)CN(CC1CC)C)=O)cccc2
SPLASH splash10-03y3-0894000000-290f328999f69568223e
Source of Spectrum B-28-1839-0
Wiley ID 1335297