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(2R*,3R*,4S*,5R*,7S*,8R*,13R*,15R*)-2,3,5,7,15-PENTAACETOXY-8-(2-XI-METHYLBUTYROYLOX)-9,14-DIOXOJATROPHA-6(17),11E-DIENE
SpectraBase Compound ID IQIlJ4ZfMV0
InChI InChI=1S/C35H48O14/c1-13-17(2)32(43)47-28-27(45-21(6)37)19(4)26(44-20(5)36)25-31(46-22(7)38)34(12,48-23(8)39)16-35(25,49-24(9)40)29(41)18(3)14-15-33(10,11)30(28)42/h14-15,17-18,25-28,31H,4,13,16H2,1-3,5-12H3/b15-14+/t17?,18-,25+,26+,27-,28-,31-,34-,35-/m1/s1
InChIKey KLSSFMQBLMDBRQ-ZACDJTLPSA-N
Mol Weight 692.8 g/mol
Molecular Formula C35H48O14
Exact Mass 692.304406 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7Q5mCBn0KO4
Name (2R*,3R*,4S*,5R*,7S*,8R*,13R*,15R*)-2,3,5,7,15-PENTAACETOXY-8-(2-XI-METHYLBUTYROYLOX)-9,14-DIOXOJATROPHA-6(17),11E-DIENE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C35H48O14
InChI InChI=1S/C35H48O14/c1-13-17(2)32(43)47-28-27(45-21(6)37)19(4)26(44-20(5)36)25-31(46-22(7)38)34(12,48-23(8)39)16-35(25,49-24(9)40)29(41)18(3)14-15-33(10,11)30(28)42/h14-15,17-18,25-28,31H,4,13,16H2,1-3,5-12H3/b15-14+/t17?,18-,25+,26+,27-,28-,31-,34-,35-/m1/s1
InChIKey KLSSFMQBLMDBRQ-ZACDJTLPSA-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 692.758 g/mol
Solvent CDCl3
Source File Reference UWMS851