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6H-Dibenzo[a,g]quinolizine-12-carboxylic acid, 5,8,8a,9,10,12a,13,13a-octahydro-2,3-dimethoxy-10-[(3,4,5-trimethoxyb enzoyl)oxy]-, methyl ester, [8aS-(8a.alpha.,10.alpha.,12a.alpha.,13a.beta.)]-
SpectraBase Compound ID Y4qTqLa0y8
InChI InChI=1S/C31H37NO9/c1-35-25-10-17-7-8-32-16-19-9-20(41-30(33)18-11-27(37-3)29(39-5)28(12-18)38-4)13-23(31(34)40-6)21(19)14-24(32)22(17)15-26(25)36-2/h10-13,15,19-21,24H,7-9,14,16H2,1-6H3/t19-,20+,21+,24-/m0/s1
InChIKey IWHXKBOWAPGHIU-BLRYILKCSA-N
Mol Weight 567.6 g/mol
Molecular Formula C31H37NO9
Exact Mass 567.246832 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 43FtEkmXVMl
Name 6H-Dibenzo[a,g]quinolizine-12-carboxylic acid, 5,8,8a,9,10,12a,13,13a-octahydro-2,3-dimethoxy-10-[(3,4,5-trimethoxyb enzoyl)oxy]-, methyl ester, [8aS-(8a.alpha.,10.alpha.,12a.alpha.,13a.beta.)]-
CAS Registry Number 69979-13-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H37NO9
InChI InChI=1S/C31H37NO9/c1-35-25-10-17-7-8-32-16-19-9-20(41-30(33)18-11-27(37-3)29(39-5)28(12-18)38-4)13-23(31(34)40-6)21(19)14-24(32)22(17)15-26(25)36-2/h10-13,15,19-21,24H,7-9,14,16H2,1-6H3/t19-,20+,21+,24-/m0/s1
InChIKey IWHXKBOWAPGHIU-BLRYILKCSA-N
Molecular Weight 567.635 g/mol
SMILES C=1([C@]2([C@@](CN3[C@@](C2)(c2c(cc(c(c2)OC)OC)CC3)[H])([H])C[C@](C1)(OC(c1cc(OC)c(c(c1)OC)OC)=O)[H])[H])C(=O)OC
SPLASH splash10-0avi-0249040000-2c893f4d92b246f44919
Source of Spectrum F-34-2118-0
Synonyms 7,8-Dimethoxy-15.alpha.-(3',4',5'-trimethoxybenzoyloxy)-13,14-didehydro-epialloberban-13-carboxylic acid methylester Methyl (8aR,10R,12aR,13aS)-2,3-dimethoxy-10-[(3,4,5-trimethoxybenzoyl)oxy]-5,8,8a,9,10,12a,13,13a-octahydro-6H-isoquino[3,2-a]isoquinoline-12-carboxylate
Wiley ID 1407429