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(3beta-ethyl-8-benzyoxy-9,10-dimethoxy-1,3,4,6,7,11balpha-hexahydrobenzo[a]quinolizin-2-yliden)acetic acid-methylester hydrochloride
SpectraBase Compound ID GSYOe5pJ49N
InChI InChI=1S/C27H33NO5.Cl/c1-5-19-16-28-12-11-21-22(23(28)13-20(19)14-25(29)31-3)15-24(30-2)27(32-4)26(21)33-17-18-9-7-6-8-10-18;/h6-10,14-15,19,23H,5,11-13,16-17H2,1-4H3;/t19-,23+;/m1./s1
InChIKey AVSMPYQFUAYAAY-GZAZMHIXSA-N
Mol Weight 487.0 g/mol
Molecular Formula C27H33ClNO5
Exact Mass 486.204726 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7kVUpvaHFh1
Name (3beta-ethyl-8-benzyoxy-9,10-dimethoxy-1,3,4,6,7,11balpha-hexahydrobenzo[a]quinolizin-2-yliden)acetic acid-methylester hydrochloride
Alternate Name(s) Methyl 2-((3S,11bS)-8-(benzyloxy)-3-ethyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-ylidene)acetate hydrochloride
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H34ClNO5
InChI InChI=1S/C27H33NO5.Cl/c1-5-19-16-28-12-11-21-22(23(28)13-20(19)14-25(29)31-3)15-24(30-2)27(32-4)26(21)33-17-18-9-7-6-8-10-18;/h6-10,14-15,19,23H,5,11-13,16-17H2,1-4H3;/t19-,23+;/m1./s1
InChIKey AVSMPYQFUAYAAY-GZAZMHIXSA-N
Literature Reference DOI 10.1002/cber.19761090708
Molecular Weight 488.024 g/mol
SMILES Cl.[C@@]12(N(CCc3c(c(c(cc23)OC)OC)OCc2ccccc2)C[C@](C(C1)=CC(OC)=O)(CC)[H])[H]
SPLASH splash10-0gvo-3009600000-817bc2a2fa6079840c99
Source of Spectrum K-109-2428-6c.HCl
Wiley ID 1794119