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6H-Dibenzo[a,g]quinolizine-12-carboxylic acid, 5,8,8a,9,10,11,13,13a-octahydro-2,3-dimethoxy-11-oxo-, methyl ester, trans-
SpectraBase Compound ID AprTczpFd3O
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/h8,10,13,16H,4-7,9,11H2,1-3H3/t13-,16-/m0/s1
InChIKey FVXRUEUBNDFULR-BBRMVZONSA-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 8UTAWBysxzM
Name 6H-Dibenzo[a,g]quinolizine-12-carboxylic acid, 5,8,8a,9,10,11,13,13a-octahydro-2,3-dimethoxy-11-oxo-, methyl ester, trans-
CAS Registry Number 59904-80-2
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/h8,10,13,16H,4-7,9,11H2,1-3H3/t13-,16-/m0/s1
InChIKey FVXRUEUBNDFULR-BBRMVZONSA-N
Molecular Weight 371.433 g/mol
SMILES C12=C(C(=O)OC)C(=O)CC[C@]2(CN2CCc3c([C@@]2(C1)[H])cc(c(OC)c3)OC)[H]
SPLASH splash10-0fl3-0469000000-8e17b2c680effd69c603
Source of Spectrum K-109-1731-0
Synonyms Methyl (8aR,13aS)-2,3-dimethoxy-11-oxo-5,8,8a,9,10,11,13,13a-octahydro-6H-isoquino[3,2-a]isoquinoline-12-carboxylate Methyl ester of 7,8-dimethoxy-14-oxo-12,13-didehydroberban-13-carboxylic acid
Wiley ID 1354996