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1H-Dibenzo[a,h]quinolizine-4-carboxylic acid, 2,3,4,4a,5,6,8,9,13b,13c-decahydro-11,12-dimethoxy-3-oxo-, methyl ester, (4.alpha.,4a.alpha.,13b.beta.,13c.beta.)-
SpectraBase Compound ID JTrlZHT9K1D
InChI InChI=1S/C21H27NO5/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/h10-11,13-14,19-20H,4-9H2,1-3H3/t13-,14+,19+,20-/m0/s1
InChIKey GZMAWAFQMKKMPF-SMHQJORMSA-N
Mol Weight 373.45 g/mol
Molecular Formula C21H27NO5
Exact Mass 373.188923 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HmzHBghi56x
Name 1H-Dibenzo[A,H]quinolizine-4-carboxylic acid, 2,3,4,4A,5,6,8,9,13B,13C-decahydro-11,12-dimethoxy-3-oxo-, methyl ester, (4.alpha.,4A.alpha.,13B.beta.,13C.beta.)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 373.188922968 u
Formula C21H27NO5
InChI InChI=1S/C21H27NO5/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/h10-11,13-14,19-20H,4-9H2,1-3H3/t13-,14+,19+,20-/m0/s1
InChIKey GZMAWAFQMKKMPF-SMHQJORMSA-N
Molecular Weight 373.449 g/mol
SMILES [C@]12([C@]([C@]3(C4=C(C=C(C(=C4)OC)OC)CCN3CC1)[H])(CCC([C@@]2(C(=O)OC)[H])=O)[H])[H]