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(2S,3S,6S,7R,8R,9S,13S,14S,15R)-7,8,9,14,15-PENTAACETOXY-3-BENZOYLOXY-6-HYDROXY-14-OXOJATROPHA-4E,11E-DIENE
SpectraBase Compound ID 21oIvFjna79
InChI InChI=1S/C37H48O13/c1-20-16-17-35(8,9)32(47-24(5)40)30(45-22(3)38)33(48-25(6)41)36(10,44)19-28-29(49-34(43)27-14-12-11-13-15-27)21(2)18-37(28,50-26(7)42)31(20)46-23(4)39/h11-17,19-21,29-33,44H,18H2,1-10H3/b17-16+,28-19+/t20-,21-,29-,30+,31-,32+,33+,36-,37+/m0/s1
InChIKey NJQQWAAKIAOYTD-CABSBIRUSA-N
Mol Weight 700.8 g/mol
Molecular Formula C37H48O13
Exact Mass 700.309492 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ENFsNfEQZlK
Name (2S,3S,6S,7R,8R,9S,13S,14S,15R)-7,8,9,14,15-PENTAACETOXY-3-BENZOYLOXY-6-HYDROXY-14-OXOJATROPHA-4E,11E-DIENE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C37H48O13
InChI InChI=1S/C37H48O13/c1-20-16-17-35(8,9)32(47-24(5)40)30(45-22(3)38)33(48-25(6)41)36(10,44)19-28-29(49-34(43)27-14-12-11-13-15-27)21(2)18-37(28,50-26(7)42)31(20)46-23(4)39/h11-17,19-21,29-33,44H,18H2,1-10H3/b17-16+,28-19+/t20-,21-,29-,30+,31-,32+,33+,36-,37+/m0/s1
InChIKey NJQQWAAKIAOYTD-CABSBIRUSA-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 700.780 g/mol
Sample ID 64395
Solvent CDCl3