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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.beta.,11.beta.,12.alpha.,12a.alpha.,13a.beta.)]-
SpectraBase Compound ID GmkBiAcLKku
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-ZAPIXYCPSA-N
Mol Weight 391.46 g/mol
Molecular Formula C21H29NO6
Exact Mass 391.199488 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6BDbU24xtPm
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.beta.,11.beta.,12.alpha.,12A.alpha.,13A.beta.)]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 391.199487652 u
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-ZAPIXYCPSA-N
Molecular Weight 391.464 g/mol
SMILES [C@@]1([C@@]2([C@](CN3[C@](C2)(C=2C(=CC(=C(C2)OC)OC)CC3)[H])([H])C[C@]([C@]1(O)[H])(O)[H])[H])(C(=O)OC)[H]