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(2R*,3R*,4S*,5R*,7S*,8R*,13R*,15R*)-2,3,5,7,15-PENTAACETOXY-8-BENZOYLOXY-9,14-DIOXOJATROPHA-6(17),11E-DIENE
SpectraBase Compound ID LPjDrRyf3UN
InChI InChI=1S/C37H44O14/c1-19-16-17-35(8,9)32(44)30(49-34(45)26-14-12-11-13-15-26)29(47-22(4)39)20(2)28(46-21(3)38)27-33(48-23(5)40)36(10,50-24(6)41)18-37(27,31(19)43)51-25(7)42/h11-17,19,27-30,33H,2,18H2,1,3-10H3/b17-16+/t19-,27+,28+,29+,30-,33-,36-,37-/m1/s1
InChIKey DIRGAGXDBYDWQB-FGSBCFCOSA-N
Mol Weight 712.7 g/mol
Molecular Formula C37H44O14
Exact Mass 712.273106 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F5BqIlHVkiJ
Name (2R*,3R*,4S*,5R*,7S*,8R*,13R*,15R*)-2,3,5,7,15-PENTAACETOXY-8-BENZOYLOXY-9,14-DIOXOJATROPHA-6(17),11E-DIENE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C37H44O14
InChI InChI=1S/C37H44O14/c1-19-16-17-35(8,9)32(44)30(49-34(45)26-14-12-11-13-15-26)29(47-22(4)39)20(2)28(46-21(3)38)27-33(48-23(5)40)36(10,50-24(6)41)18-37(27,31(19)43)51-25(7)42/h11-17,19,27-30,33H,2,18H2,1,3-10H3/b17-16+/t19-,27+,28+,29+,30-,33-,36-,37-/m1/s1
InChIKey DIRGAGXDBYDWQB-FGSBCFCOSA-N
Literature Reference Author J.JAKUPOVIC,T.MORGENSTERN,J.A.MARCO,W.BERENDSOHN
Literature Reference Citation PHYTOCHEM.,47,1611(1998)
Literature Reference DOI 10.1016/S0031-9422(97)00832-7
Molecular Weight 712.748 g/mol
Solvent CDCl3
Source File Reference UWMS849