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1H-Dibenzo[a,h]quinolizine-4-carboxylic acid, 2,3,4,4a,5,6,8,9,13b,13c-decahydro-3-hydroxy-11,12-dimethoxy-, methyl ester, (3.alpha.,4.alpha.,4a.beta.,13b.beta.,13c.beta.)-
SpectraBase Compound ID 4UM57oaIxoP
InChI InChI=1S/C21H29NO5/c1-25-17-10-12-6-8-22-9-7-13-14(20(22)15(12)11-18(17)26-2)4-5-16(23)19(13)21(24)27-3/h10-11,13-14,16,19-20,23H,4-9H2,1-3H3/t13-,14-,16+,19-,20+/m1/s1
InChIKey VEIHIJZOQIALBL-SBMOTQJGSA-N
Mol Weight 375.47 g/mol
Molecular Formula C21H29NO5
Exact Mass 375.204573 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 47ZY3UjtgzX
Name 1H-Dibenzo[a,h]quinolizine-4-carboxylic acid, 2,3,4,4a,5,6,8,9,13b,13c-decahydro-3-hydroxy-11,12-dimethoxy-, methyl ester, (3.alpha.,4.alpha.,4a.beta.,13b.beta.,13c.beta.)-
Alternate Name(s) Methyl (3S,4R,4aR,13bS,13cR)-3-hydroxy-11,12-dimethoxy-2,3,4,4a,5,6,8,9,13b,13c-decahydro-1H-isoquino[1,2-a]isoquinoline-4-carboxylate Methyl-11,12-dimethoxy-3.beta.-hydroxy-(cis,syn-1,2,3,4,4a,5,6,8,9,13c-decahydro-13b.alpha.H-dibenzo[a,h]quinolizin-4(.beta.))-yl carboxylate
CAS Registry Number 74170-77-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H29NO5
InChI InChI=1S/C21H29NO5/c1-25-17-10-12-6-8-22-9-7-13-14(20(22)15(12)11-18(17)26-2)4-5-16(23)19(13)21(24)27-3/h10-11,13-14,16,19-20,23H,4-9H2,1-3H3/t13-,14-,16+,19-,20+/m1/s1
InChIKey VEIHIJZOQIALBL-SBMOTQJGSA-N
Molecular Weight 375.465 g/mol
SMILES O[C@@]1([C@@]([C@]2([C@]([C@]3(c4c(cc(c(c4)OC)OC)CCN3CC2)[H])(CC1)[H])[H])(C(=O)OC)[H])[H]
SPLASH splash10-05xu-0489000000-d34f353371e4299da332
Source of Spectrum F-35-2046-0
Wiley ID 1357217