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(2R,3R,4R,5R,7S,8S,9S,11E,13S,15R)-2,3,5,7,8,9,15-HEPTAHYDROXYJATROPHA-6(17),11-DIENE-14-ONE-2,3,8,9-TETRAACETATE-5-BENZOATE-7-(2-METHYLPROP
SpectraBase Compound ID F5P0kR4wWbt
InChI InChI=1S/C39H50O14/c1-20(2)35(45)52-30-22(4)29(51-36(46)27-15-13-12-14-16-27)28-33(49-24(6)41)38(11,53-26(8)43)19-39(28,47)32(44)21(3)17-18-37(9,10)34(50-25(7)42)31(30)48-23(5)40/h12-18,20-21,28-31,33-34,47H,4,19H2,1-3,5-11H3/b18-17+/t21-,28-,29-,30-,31+,33+,34+,38+,39+/m0/s1
InChIKey WEBKPHPDRNQBSC-SDZAJLLVSA-N
Mol Weight 742.8 g/mol
Molecular Formula C39H50O14
Exact Mass 742.320056 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4eeyQ2kz9Cz
Name (2R,3R,4R,5R,7S,8S,9S,11E,13S,15R)-2,3,5,7,8,9,15-HEPTAHYDROXYJATROPHA-6(17),11-DIENE-14-ONE-2,3,8,9-TETRAACETATE-5-BENZOATE-7-(2-METHYLPROP
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C39H50O14
InChI InChI=1S/C39H50O14/c1-20(2)35(45)52-30-22(4)29(51-36(46)27-15-13-12-14-16-27)28-33(49-24(6)41)38(11,53-26(8)43)19-39(28,47)32(44)21(3)17-18-37(9,10)34(50-25(7)42)31(30)48-23(5)40/h12-18,20-21,28-31,33-34,47H,4,19H2,1-3,5-11H3/b18-17+/t21-,28-,29-,30-,31+,33+,34+,38+,39+/m0/s1
InChIKey WEBKPHPDRNQBSC-SDZAJLLVSA-N
Literature Reference Author J.A.MARCO,J.F.SANZ-CERVERA,A.YUSTE,J.JAKUPOVIC,F.JESKE
Literature Reference Citation PHYTOCHEM.,47,1621(1998)
Literature Reference DOI 10.1016/S0031-9422(97)00833-9
Molecular Weight 742.818 g/mol
Solvent CDCl3
Source File Reference UWMS864