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2H-Benzo[a]quinolizine-1-propanoic acid, 1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-2-(2-methoxy-2-oxoethyl)-, methyl ester, (1.alpha.,2.alpha.,11b.beta.)-
SpectraBase Compound ID KIbzMLMAvYc
InChI InChI=1S/C22H31NO6/c1-26-18-11-14-7-9-23-10-8-15(12-21(25)29-4)16(5-6-20(24)28-3)22(23)17(14)13-19(18)27-2/h11,13,15-16,22H,5-10,12H2,1-4H3/t15-,16+,22-/m0/s1
InChIKey JXKZYRMQXVVHJB-DMPWYTOCSA-N
Mol Weight 405.49 g/mol
Molecular Formula C22H31NO6
Exact Mass 405.215138 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2di0bt5tCXs
Name 2H-Benzo[a]quinolizine-1-propanoic acid, 1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-2-(2-methoxy-2-oxoethyl)-, methyl ester, (1.alpha.,2.alpha.,11b.beta.)-
CAS Registry Number 74170-72-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H31NO6
InChI InChI=1S/C22H31NO6/c1-26-18-11-14-7-9-23-10-8-15(12-21(25)29-4)16(5-6-20(24)28-3)22(23)17(14)13-19(18)27-2/h11,13,15-16,22H,5-10,12H2,1-4H3/t15-,16+,22-/m0/s1
InChIKey JXKZYRMQXVVHJB-DMPWYTOCSA-N
Molecular Weight 405.491 g/mol
SMILES c12[C@]3(N(CC[C@]([C@]3(CCC(=O)OC)[H])(CC(=O)OC)[H])CCc1cc(c(c2)OC)OC)[H]
SPLASH splash10-053r-0249500000-0a1843cc8cca173f9c74
Source of Spectrum F-35-2045-0
Synonyms Methyl 3-[(1R,2S,11bS)-9,10-dimethoxy-2-(2-methoxy-2-oxoethyl)-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-1-yl]propanoate Methyl-9,10-dimethoxy-2.alpha.-(methoxycarbonylmethyl)-1,3,4,6,7,11b.alpha.-hexahydro-2H-benzo(a)quinolizin-yl propionate
Wiley ID 1371753