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6H-Dibenzo[a,g]quinolizine-12-carboxylic acid, 11-chloro-5,8,8a,9,10,11,12,12a,13,13a-decahydro-2,3-dimethoxy-10-[(3 ,4,5-trimethoxybenzoyl)oxy]-, methyl ester, [8aS-(8a.alpha.,10.alpha.,11.beta.,12.alpha.,12a.alpha.,13a.beta.)]-
SpectraBase Compound ID KNvH1UJ3AQ3
InChI InChI=1S/C31H38ClNO9/c1-36-22-9-16-7-8-33-15-18-12-24(42-30(34)17-10-25(38-3)29(40-5)26(11-17)39-4)28(32)27(31(35)41-6)20(18)13-21(33)19(16)14-23(22)37-2/h9-11,14,18,20-21,24,27-28H,7-8,12-13,15H2,1-6H3/t18-,20+,21-,24+,27-,28-/m1/s1
InChIKey RQYRRBLLEPBVSG-HRJPLJCRSA-N
Mol Weight 604.1 g/mol
Molecular Formula C31H38ClNO9
Exact Mass 603.223509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GWHXWIlW4oq
Name 6H-Dibenzo[a,g]quinolizine-12-carboxylic acid, 11-chloro-5,8,8a,9,10,11,12,12a,13,13a-decahydro-2,3-dimethoxy-10-[(3 ,4,5-trimethoxybenzoyl)oxy]-, methyl ester, [8aS-(8a.alpha.,10.alpha.,11.beta.,12.alpha.,12a.alpha.,13a.beta.)]-
Alternate Name(s) 14.beta.-chloro-7,8-dimethoxy-15.alpha.-(3',4',5'-trimethoxybenzoyloxy)-epialloberban-13.alpha.-carboxylic acid methylester Methyl (8aS,10S,11S,12S,12aS,13aR)-11-chloro-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
CAS Registry Number 69915-49-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H38ClNO9
InChI InChI=1S/C31H38ClNO9/c1-36-22-9-16-7-8-33-15-18-12-24(42-30(34)17-10-25(38-3)29(40-5)26(11-17)39-4)28(32)27(31(35)41-6)20(18)13-21(33)19(16)14-23(22)37-2/h9-11,14,18,20-21,24,27-28H,7-8,12-13,15H2,1-6H3/t18-,20+,21-,24+,27-,28-/m1/s1
InChIKey RQYRRBLLEPBVSG-HRJPLJCRSA-N
Molecular Weight 604.096 g/mol
SMILES [C@@]1([C@@]2([C@](CN3[C@](C2)(c2c(cc(c(c2)OC)OC)CC3)[H])([H])C[C@@]([C@]1(Cl)[H])(OC(c1cc(OC)c(c(c1)OC)OC)=O)[H])[H])(C(=O)OC)[H]
SPLASH splash10-1000-0223059000-b9f13242b9d0d9905bee
Source of Spectrum F-34-2118-0
Wiley ID 1410379