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(+/-)-4A-HYDROXY-4,10A-BIS-(METHOXYCARBONYL)-2,11-DIMETHYL-SYN-12-(2-PYRIDYL)-2,3,4,T-4A,10,T-10A-HEXAHYDRO-C-10,R-4-(IMINOMETHANO)-1H-PYR

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(+/-)-4A-HYDROXY-4,10A-BIS-(METHOXYCARBONYL)-2,11-DIMETHYL-SYN-12-(2-PYRIDYL)-2,3,4,T-4A,10,T-10A-HEXAHYDRO-C-10,R-4-(IMINOMETHANO)-1H-PYR
SpectraBase Compound ID ASXg9dQkNt2
InChI InChI=1S/C23H27N4O5.2ClHO4/c1-25-13-21(19(28)31-3)17(15-9-5-7-11-24-15)26(2)18-16-10-6-8-12-27(16)23(21,30)22(18,14-25)20(29)32-4;2*2-1(3,4)5/h5-12,17-18,30H,13-14H2,1-4H3;2*(H,2,3,4,5)/q+1;;/p-1/t17-,18+,21-,22+,23-;;/m0../s1
InChIKey IBSDLFIBKZWORQ-MMPUGPECSA-M
Mol Weight 639.4 g/mol
Molecular Formula C23H28Cl2N4O13
Exact Mass 638.102992 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HX9FGZbWKI
Name (+/-)-4A-HYDROXY-4,10A-BIS-(METHOXYCARBONYL)-2,11-DIMETHYL-SYN-12-(2-PYRIDYL)-2,3,4,T-4A,10,T-10A-HEXAHYDRO-C-10,R-4-(IMINOMETHANO)-1H-PYR
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H28Cl2N4O13
InChI InChI=1S/C23H27N4O5.2ClHO4/c1-25-13-21(19(28)31-3)17(15-9-5-7-11-24-15)26(2)18-16-10-6-8-12-27(16)23(21,30)22(18,14-25)20(29)32-4;2*2-1(3,4)5/h5-12,17-18,30H,13-14H2,1-4H3;2*(H,2,3,4,5)/q+1;;/p-1/t17-,18+,21-,22+,23-;;/m0../s1
InChIKey IBSDLFIBKZWORQ-MMPUGPECSA-M
Literature Reference Author U.KUHL,A.CAMBARERI,C.SAUBER,F.SOERGEL,R.HARTMANN,H.EULER,A.K IRFEL,U.HOLZGRABE
Literature Reference Citation J.CHEM.SOC.PERKIN-2,2083(1999)
Literature Reference DOI 10.1039/a904472h
Molecular Weight 639.400 g/mol
Solvent CH3OH-D4
Source File Reference UWRU11005