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(2R*,3R*,6S*,7R*,8R*,9S*,13S*,15R*)-6,7,8,9,15-PENTAACETOXY-3-BENZOYLOXY-2-HYDROXY-14-OXOJATROPHA-4E,11E-DIENE
SpectraBase Compound ID 1Bo7vVJFcCI
InChI InChI=1S/C37H46O14/c1-20-16-17-34(7,8)31(47-22(3)39)28(46-21(2)38)32(48-23(4)40)36(10,50-24(5)41)18-27-30(49-33(44)26-14-12-11-13-15-26)35(9,45)19-37(27,29(20)43)51-25(6)42/h11-18,20,28,30-32,45H,19H2,1-10H3/b17-16+,27-18+/t20-,28+,30+,31+,32+,35+,36-,37+/m0/s1
InChIKey ZXGXFXYQGFBFDO-XSUVOQSYSA-N
Mol Weight 714.8 g/mol
Molecular Formula C37H46O14
Exact Mass 714.288756 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 14eXTAahjnU
Name (2R*,3R*,6S*,7R*,8R*,9S*,13S*,15R*)-6,7,8,9,15-PENTAACETOXY-3-BENZOYLOXY-2-HYDROXY-14-OXOJATROPHA-4E,11E-DIENE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C37H46O14
InChI InChI=1S/C37H46O14/c1-20-16-17-34(7,8)31(47-22(3)39)28(46-21(2)38)32(48-23(4)40)36(10,50-24(5)41)18-27-30(49-33(44)26-14-12-11-13-15-26)35(9,45)19-37(27,29(20)43)51-25(6)42/h11-18,20,28,30-32,45H,19H2,1-10H3/b17-16+,27-18+/t20-,28+,30+,31+,32+,35+,36-,37+/m0/s1
InChIKey ZXGXFXYQGFBFDO-XSUVOQSYSA-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 714.764 g/mol
Sample ID 64394
Solvent CDCl3