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Pyrido[3',4':4,5]cyclohept[1,2-b]indol-6(2H)-one, 4-ethylidene-1,3,4,4a,5,7,12,12a-octahydro-12a-(hydroxymethyl)-2-methyl-, [4aS-(4E,4a.alpha.,12a.alpha.)]-
SpectraBase Compound ID 6pPwhESMImi
InChI InChI=1S/C20H24N2O2/c1-3-13-10-22(2)11-20(12-23)9-15-14-6-4-5-7-17(14)21-19(15)18(24)8-16(13)20/h3-7,16,21,23H,8-12H2,1-2H3/b13-3-/t16-,20-/m0/s1
InChIKey FEWAKRACUMSVCJ-WBUQUAQWSA-N
Mol Weight 324.42 g/mol
Molecular Formula C20H24N2O2
Exact Mass 324.183778 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5HJY0P48pM
Name Pyrido[3',4':4,5]cyclohept[1,2-b]indol-6(2H)-one, 4-ethylidene-1,3,4,4a,5,7,12,12a-octahydro-12a-(hydroxymethyl)-2-methyl-, [4aS-(4E,4a.alpha.,12a.alpha.)]-
CAS Registry Number 33257-12-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H24N2O2
InChI InChI=1S/C20H24N2O2/c1-3-13-10-22(2)11-20(12-23)9-15-14-6-4-5-7-17(14)21-19(15)18(24)8-16(13)20/h3-7,16,21,23H,8-12H2,1-2H3/b13-3-/t16-,20-/m0/s1
InChIKey FEWAKRACUMSVCJ-WBUQUAQWSA-N
Molecular Weight 324.424 g/mol
SMILES [nH]1c2c(c3C[C@]4(CO)[C@@](CC(c13)=O)(\C(=C/C)CN(C4)C)[H])cccc2
SPLASH splash10-0ff0-0902000000-dcd6106c29be5da48449
Source of Spectrum B-28-1839-0
Synonyms (4E,4aS,12aS)-4-ethylidene-12a-(hydroxymethyl)-2-methyl-1,3,4,4a,5,7,12,12a-octahydropyrido[3',4':4,5]cyclohepta[1,2-b]indol-6(2H)-one 19-Dehydro-5-hydroxymethylervatamine 19-Dehydroervataminol Ervataminol, 19,20-didehydro-
Wiley ID 1323495