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2H-Benzo[a]quinolizine-3-propanoic acid, 1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-2-(2-methoxy-2-oxoethylidene)- , methyl ester, [3R-(2Z,3.alpha.,11b.alpha.)]-
SpectraBase Compound ID AHG2BjYeZ9y
InChI InChI=1S/C22H29NO6/c1-26-19-10-14-7-8-23-13-15(5-6-21(24)28-3)16(11-22(25)29-4)9-18(23)17(14)12-20(19)27-2/h10-12,15,18H,5-9,13H2,1-4H3/b16-11-/t15-,18-/m0/s1
InChIKey BVMQPISLULPSEH-AIOZRMLZSA-N
Mol Weight 403.48 g/mol
Molecular Formula C22H29NO6
Exact Mass 403.199488 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LA1rfludwld
Name 2H-Benzo[a]quinolizine-3-propanoic acid, 1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-2-(2-methoxy-2-oxoethylidene)- , methyl ester, [3R-(2Z,3.alpha.,11b.alpha.)]-
CAS Registry Number 59952-59-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H29NO6
InChI InChI=1S/C22H29NO6/c1-26-19-10-14-7-8-23-13-15(5-6-21(24)28-3)16(11-22(25)29-4)9-18(23)17(14)12-20(19)27-2/h10-12,15,18H,5-9,13H2,1-4H3/b16-11-/t15-,18-/m0/s1
InChIKey BVMQPISLULPSEH-AIOZRMLZSA-N
Molecular Weight 403.475 g/mol
SMILES [C@@]12(N(CCc3cc(c(cc23)OC)OC)C[C@@](\C(C1)=C\C(=O)OC)(CCC(=O)OC)[H])[H]
SPLASH splash10-0udl-0329600000-a6bdcecd2587b32f485c
Source of Spectrum K-109-1730-0
Synonyms Methyl 3-[(2Z,3R,11bS)-9,10-dimethoxy-2-(2-methoxy-2-oxoethylidene)-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-3-yl]propanoate Methyl ester of (Z)-3-(9,10-dimethoxy-2-(methoxycarbonylmethylene)-1,3,4,6,7,11b.alpha.-hexahydro-2H-benzo[a]quinolizin-3-yl)propionic acid
Wiley ID 1370881