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(2R*,3S*,6S*,7R*,8R*,9S*,13S*,15R*)-7,8,9,15-TETRAACETOXY-3-BENZOYLOXY-6-HYDROXY-14-OXOJATROPHA-4E,11E-DIENE
SpectraBase Compound ID 1AJ22S7QpSe
InChI InChI=1S/C35H44O12/c1-19-15-16-33(7,8)30(44-22(4)37)28(43-21(3)36)31(45-23(5)38)34(9,42)18-26-27(46-32(41)25-13-11-10-12-14-25)20(2)17-35(26,29(19)40)47-24(6)39/h10-16,18-20,27-28,30-31,42H,17H2,1-9H3/b16-15-,26-18+/t19-,20+,27-,28+,30+,31+,34-,35+/m0/s1
InChIKey MGQBTBLHNLYVIS-QABYGLGRSA-N
Mol Weight 656.7 g/mol
Molecular Formula C35H44O12
Exact Mass 656.283277 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ECwAeEirU7m
Name (2R*,3S*,6S*,7R*,8R*,9S*,13S*,15R*)-7,8,9,15-TETRAACETOXY-3-BENZOYLOXY-6-HYDROXY-14-OXOJATROPHA-4E,11E-DIENE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C35H44O12
InChI InChI=1S/C35H44O12/c1-19-15-16-33(7,8)30(44-22(4)37)28(43-21(3)36)31(45-23(5)38)34(9,42)18-26-27(46-32(41)25-13-11-10-12-14-25)20(2)17-35(26,29(19)40)47-24(6)39/h10-16,18-20,27-28,30-31,42H,17H2,1-9H3/b16-15-,26-18+/t19-,20+,27-,28+,30+,31+,34-,35+/m0/s1
InChIKey MGQBTBLHNLYVIS-QABYGLGRSA-N
Literature Reference Author J.HOHMANN,J.MOLNAR,D.REDEI,F.EVANCS,P.FORGO,A.KALMAN,G.ARGAY ,P.SZABO
Literature Reference Citation J.MED.CHEM.,45,2425(2002)
Literature Reference DOI 10.1021/jm0111301
Molecular Weight 656.727 g/mol
Sample ID 64393
Solvent CDCl3