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(2S,3S,4R,5R,7S,8S,9S,11E,13S,15R)-3,5,7,8,9,15-HEXAHYDROXYJATROPHA-6(17),11-DIEN-14-ONE-3-ACETATE-7-(2-METHYLPROPIONATE)-8-(2-METHYLBUTYRATE)

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(2S,3S,4R,5R,7S,8S,9S,11E,13S,15R)-3,5,7,8,9,15-HEXAHYDROXYJATROPHA-6(17),11-DIEN-14-ONE-3-ACETATE-7-(2-METHYLPROPIONATE)-8-(2-METHYLBUTYRATE)
SpectraBase Compound ID 1uQrqtdLgg2
InChI InChI=1S/C31H48O10/c1-11-16(4)29(37)41-25-24(40-28(36)15(2)3)19(7)22(33)21-23(39-20(8)32)18(6)14-31(21,38)26(34)17(5)12-13-30(9,10)27(25)35/h12-13,15-18,21-25,27,33,35,38H,7,11,14H2,1-6,8-10H3/b13-12+/t16?,17-,18-,21-,22-,23-,24-,25+,27+,31+/m0/s1
InChIKey CLLVXCLBCSERNI-QVXLWMJSSA-N
Mol Weight 580.7 g/mol
Molecular Formula C31H48O10
Exact Mass 580.324748 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8Dzz3vKXUX6
Name (2S,3S,4R,5R,7S,8S,9S,11E,13S,15R)-3,5,7,8,9,15-HEXAHYDROXYJATROPHA-6(17),11-DIEN-14-ONE-3-ACETATE-7-(2-METHYLPROPIONATE)-8-(2-METHYLBUTYRATE)
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H48O10
InChI InChI=1S/C31H48O10/c1-11-16(4)29(37)41-25-24(40-28(36)15(2)3)19(7)22(33)21-23(39-20(8)32)18(6)14-31(21,38)26(34)17(5)12-13-30(9,10)27(25)35/h12-13,15-18,21-25,27,33,35,38H,7,11,14H2,1-6,8-10H3/b13-12+/t16?,17-,18-,21-,22-,23-,24-,25+,27+,31+/m0/s1
InChIKey CLLVXCLBCSERNI-QVXLWMJSSA-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 580.716 g/mol
Solvent CDCl3
Source File Reference UWMS860