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6H-Dibenzo[a,g]quinolizine-12-carboxylic acid, 5,8,8a,9,10,11,12,12a,13,13a-decahydro-11-hydroxy-2,3-dimethoxy-10-[(3,4,5-trimethoxybenzoyl)oxy]-, methyl ester, [8aS-(8a.alpha.,10.alpha.,11.beta.,12.beta.,12a.alpha.,13a.alpha.)]-
SpectraBase Compound ID 8LB6LVMe7jO
InChI InChI=1S/C31H39NO10/c1-36-22-9-16-7-8-32-15-18-12-24(42-30(34)17-10-25(38-3)29(40-5)26(11-17)39-4)28(33)27(31(35)41-6)20(18)13-21(32)19(16)14-23(22)37-2/h9-11,14,18,20-21,24,27-28,33H,7-8,12-13,15H2,1-6H3/t18-,20+,21+,24+,27+,28-/m1/s1
InChIKey POIKGRFLXHVLRO-UIWCXLQBSA-N
Mol Weight 585.7 g/mol
Molecular Formula C31H39NO10
Exact Mass 585.257396 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IYI167DWu3E
Name 6H-Dibenzo[a,g]quinolizine-12-carboxylic acid, 5,8,8a,9,10,11,12,12a,13,13a-decahydro-11-hydroxy-2,3-dimethoxy-10-[(3,4,5-trimethoxybenzoyl)oxy]-, methyl ester, [8aS-(8a.alpha.,10.alpha.,11.beta.,12.beta.,12a.alpha.,13a.alpha.)]-
CAS Registry Number 63950-27-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H39NO10
InChI InChI=1S/C31H39NO10/c1-36-22-9-16-7-8-32-15-18-12-24(42-30(34)17-10-25(38-3)29(40-5)26(11-17)39-4)28(33)27(31(35)41-6)20(18)13-21(32)19(16)14-23(22)37-2/h9-11,14,18,20-21,24,27-28,33H,7-8,12-13,15H2,1-6H3/t18-,20+,21+,24+,27+,28-/m1/s1
InChIKey POIKGRFLXHVLRO-UIWCXLQBSA-N
Molecular Weight 585.650 g/mol
SMILES O[C@@]1([C@@](OC(c2cc(OC)c(c(c2)OC)OC)=O)(C[C@]2([C@@]([C@@]1(C(=O)OC)[H])(C[C@@]1(N(CCc3c1cc(c(OC)c3)OC)C2)[H])[H])[H])[H])[H]
SPLASH splash10-05gi-0439080000-f8eaa77386817d4a5ab4
Source of Spectrum F-34-2118-0
Synonyms 14-.beta.-hydroxy-7,8-dimethoxy-15.alpha.-(3',4',5'-trimethoxybenzoyloxy)-epialloberban-13.beta.-carboxylic acid methylester Methyl (8aS,10S,11S,12S,12aS,13aS)-11-hydroxy-2,3-dimethoxy-10-[(3,4,5-trimethoxybenzoyl)oxy]-5,8,8a,9,10,11,12,12a,13,13a-decahydro-6H-isoquino[3,2-a]isoquinoline-12-carboxylate
Wiley ID 1408948