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6H-Dibenzo[a,g]quinolizine-12-carboxylic acid, 5,8,8a,9,10,11,12,12a,13,13a-decahydro-10,11-dihydroxy-2,3-dimethoxy- , methyl ester, [8aS-(8a.alpha.,10.alpha.,11.beta.,12.alpha.,12a.alpha.,13a.beta.)]-
SpectraBase Compound ID 9aipCtOCXfJ
InChI InChI=1S/C21H29NO6/c1-26-17-7-11-4-5-22-10-12-6-16(23)20(24)19(21(25)28-3)14(12)8-15(22)13(11)9-18(17)27-2/h7,9,12,14-16,19-20,23-24H,4-6,8,10H2,1-3H3/t12-,14+,15-,16+,19-,20-/m1/s1
InChIKey CBTFHQXRDQGZIR-WNOOKSAPSA-N
Mol Weight 391.46 g/mol
Molecular Formula C21H29NO6
Exact Mass 391.199488 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4QeMrZKzfVT
Name 6H-Dibenzo[a,g]quinolizine-12-carboxylic acid, 5,8,8a,9,10,11,12,12a,13,13a-decahydro-10,11-dihydroxy-2,3-dimethoxy- , methyl ester, [8aS-(8a.alpha.,10.alpha.,11.beta.,12.alpha.,12a.alpha.,13a.beta.)]-
Alternate Name(s) 14.beta.,15.alpha.-dihydroxy-7,8-dimethoxy-epialloberban-13.alpha.-carboxylic acid methylester Methyl (8aS,10S,11S,12R,12aS,13aR)-10,11-dihydroxy-2,3-dimethoxy-5,8,8a,9,10,11,12,12a,13,13a-decahydro-6H-isoquino[3,2-a]isoquinoline-12-carboxylate
CAS Registry Number 69979-12-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H29NO6
InChI InChI=1S/C21H29NO6/c1-26-17-7-11-4-5-22-10-12-6-16(23)20(24)19(21(25)28-3)14(12)8-15(22)13(11)9-18(17)27-2/h7,9,12,14-16,19-20,23-24H,4-6,8,10H2,1-3H3/t12-,14+,15-,16+,19-,20-/m1/s1
InChIKey CBTFHQXRDQGZIR-WNOOKSAPSA-N
Molecular Weight 391.464 g/mol
SMILES O[C@@]1([C@](C[C@]2([C@@]([C@]1(C(=O)OC)[H])(C[C@]1(N(C2)CCc2c1cc(c(c2)OC)OC)[H])[H])[H])(O)[H])[H]
SPLASH splash10-0006-0129000000-3bd4b0dced19a4aa0045
Source of Spectrum F-34-2118-0
Wiley ID 1365347