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6H-Dibenzo[a,g]quinolizine-12-carboxylic acid, 5,8,8a,11,12,12a,13,13a-octahydro-2,3-dimethoxy-11-oxo-, methyl ester, [8aS-(8a.alpha.,12a.alpha.,13a.alpha.)]-
SpectraBase Compound ID ERekJMkJkTg
InChI InChI=1S/C21H25NO5/c1-25-18-8-12-6-7-22-11-13-4-5-17(23)20(21(24)27-3)15(13)9-16(22)14(12)10-19(18)26-2/h4-5,8,10,13,15-16,20H,6-7,9,11H2,1-3H3/t13-,15+,16+,20?/m1/s1
InChIKey PNDJZUZVYYMROK-ZOPYNWFKSA-N
Mol Weight 371.43 g/mol
Molecular Formula C21H25NO5
Exact Mass 371.173273 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CngJ3GPOW5e
Name 6H-Dibenzo[a,g]quinolizine-12-carboxylic acid, 5,8,8a,11,12,12a,13,13a-octahydro-2,3-dimethoxy-11-oxo-, methyl ester, [8aS-(8a.alpha.,12a.alpha.,13a.alpha.)]-
CAS Registry Number 61758-46-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H25NO5
InChI InChI=1S/C21H25NO5/c1-25-18-8-12-6-7-22-11-13-4-5-17(23)20(21(24)27-3)15(13)9-16(22)14(12)10-19(18)26-2/h4-5,8,10,13,15-16,20H,6-7,9,11H2,1-3H3/t13-,15+,16+,20?/m1/s1
InChIKey PNDJZUZVYYMROK-ZOPYNWFKSA-N
Molecular Weight 371.433 g/mol
SMILES [C@@]12(C(C(=O)OC)C(=O)C=C[C@@]2(CN2CCc3c([C@@]2(C1)[H])cc(c(OC)c3)OC)[H])[H]
SPLASH splash10-05fr-0279000000-5339fdc72f43a0522448
Source of Spectrum K-109-3403-0
Synonyms Methyl (8aS,12aS,13aS)-2,3-dimethoxy-11-oxo-5,8,8a,11,12,12a,13,13a-octahydro-6H-isoquino[3,2-a]isoquinoline-12-carboxylate Methyl ester of 7,8-dimethoxy-14-oxo-15,16-didehydro-alloberban-13-carboxylic acid
Wiley ID 1355001