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VALLESIACHOTAMINE
SpectraBase Compound ID IDnpGGBZr5K
InChI InChI=1S/C21H22N2O3/c1-3-13(12-24)16-10-19-20-15(14-6-4-5-7-18(14)22-20)8-9-23(19)11-17(16)21(25)26-2/h3-7,11-12,16,19,22H,8-10H2,1-2H3/b13-3+/t16-,19-/m0/s1
InChIKey NTVLUSJWJRSPSM-AHHXMMTISA-N
Mol Weight 350.42 g/mol
Molecular Formula C21H22N2O3
Exact Mass 350.163043 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4UNFvFtm1BJ
Name (2S,12bS)-2-[(Z)-1-formylprop-1-enyl]-1,2,6,7,12,12b-hexahydropyrido[2,1-a]$b-carboline-3-carboxylic acid methyl ester
Comments Less than 3 mono-isotopic peaks
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Formula C21H22N2O3
InChI InChI=1S/C21H22N2O3/c1-3-13(12-24)16-10-19-20-15(14-6-4-5-7-18(14)22-20)8-9-23(19)11-17(16)21(25)26-2/h3-7,11-12,16,19,22H,8-10H2,1-2H3/b13-3+/t16-,19-/m0/s1
InChIKey NTVLUSJWJRSPSM-AHHXMMTISA-N
Molecular Weight 350.418 g/mol
SMILES [nH]1c2ccccc2c2c1[C@]1(N(CC2)C=C([C@@](C1)(\C(=C\C)C=O)[H])C(=O)OC)[H]
SPLASH splash10-0fb9-0096000000-444c8c0fbe6f390560f1
Source of Spectrum U-1996-355-6
Synonyms Isovallesia-chotamine (2S,12bS)-2-[(Z)-1-oxobut-2-en-2-yl]-1,2,6,7,12,12b-hexahydroindolo[2,3-a]quinolizine-3-carboxylic acid methyl ester Isovallesiachotamine methyl (2S,12bS)-2-[(Z)-1-formylprop-1-enyl]-1,2,6,7,12,12b-hexahydroindolo[2,3-a]quinolizine-3-carboxylate methyl (2S,12bS)-2-[(Z)-1-oxobut-2-en-2-yl]-1,2,6,7,12,12b-hexahydroindolo[2,3-a]quinolizine-3-carboxylate methyl (2S,12bS)-2-[(Z)-1-oxidanylidenebut-2-en-2-yl]-1,2,6,7,12,12b-hexahydroindolo[2,3-a]quinolizine-3-carboxylate
Wiley ID 768159