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2-[(3Z)-3-ethylidene-5-methyl-2,4,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-5-ium-2-yl]-3-hydroxypropanoic acid methyl ester
SpectraBase Compound ID GPeYOv3Pm6H
InChI InChI=1S/C22H28N2O3/c1-4-14-12-24(2)10-9-16-15-7-5-6-8-19(15)23-21(16)20(24)11-17(14)18(13-25)22(26)27-3/h4-8,17-18,20,23H,9-13H2,1-3H3/b14-4+
InChIKey CTVBDDQZEACBBC-LNKIKWGQSA-N
Mol Weight 368.48 g/mol
Molecular Formula C22H28N2O3
Exact Mass 368.209993 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FZg2fkm2IVw
Name 2-[(3Z)-3-ethylidene-5-methyl-2,4,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-5-ium-2-yl]-3-hydroxypropanoic acid methyl ester
CAS Registry Number 69306-89-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H28N2O3
InChI InChI=1S/C22H28N2O3/c1-4-14-12-24(2)10-9-16-15-7-5-6-8-19(15)23-21(16)20(24)11-17(14)18(13-25)22(26)27-3/h4-8,17-18,20,23H,9-13H2,1-3H3/b14-4+
InChIKey CTVBDDQZEACBBC-LNKIKWGQSA-N
Molecular Weight 368.477 g/mol
SMILES c12c(c3ccccc3[nH]2)CC[N+]2(C1CC(\C(=C\C)C2)C(C(=O)OC)C[O-])C
SPLASH splash10-0zfr-1962000000-4d1e8c4043665a9f98af
Source of Spectrum W5-32061-0-0
Synonyms 2-[(3Z)-3-ethylidene-5-methyl-2,4,6,7,12,12b-hexahydro-1H-pyrido[2,1-a]$b-carbolin-5-ium-2-yl]-3-hydroxy-propionic acid methyl ester Corynanium, 19,20-didehydro-16-(hydroxymethyl)-17-methoxy-4-methyl-17-oxo-, (4alpha,19E)- Diploceline Methyl 2-[(3Z)-3-ethylidene-5-methyl-2,4,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-5-ium-2-yl]-3-hydroxy-propanoate Methyl 2-[(3Z)-3-ethylidene-5-methyl-2,4,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-5-ium-2-yl]-3-oxidanyl-propanoate
Wiley ID 1353240