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(2S*,3S*,5R*,7S*,8S*,9S*,13S*,15R*)-3,9,15-TRIHYDROXY-5,7-DI-(2-METHYLPROPYONYLOXY)-8-(2-XI-METHYLBUTYROYLOXY)-14-OXO-JATROPHA-6(17),11E-DIENE

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(2S*,3S*,5R*,7S*,8S*,9S*,13S*,15R*)-3,9,15-TRIHYDROXY-5,7-DI-(2-METHYLPROPYONYLOXY)-8-(2-XI-METHYLBUTYROYLOXY)-14-OXO-JATROPHA-6(17),11E-DIENE
SpectraBase Compound ID CofxxuqQa7C
InChI InChI=1S/C33H52O10/c1-12-18(6)31(39)43-26-25(42-30(38)17(4)5)21(9)24(41-29(37)16(2)3)22-23(34)20(8)15-33(22,40)27(35)19(7)13-14-32(10,11)28(26)36/h13-14,16-20,22-26,28,34,36,40H,9,12,15H2,1-8,10-11H3/b14-13+/t18?,19-,20-,22+,23-,24-,25-,26+,28-,33+/m0/s1
InChIKey VJYZDSWWFJGHOU-LDOFLPMTSA-N
Mol Weight 608.8 g/mol
Molecular Formula C33H52O10
Exact Mass 608.356048 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LN9WqWWPcHg
Name (2S*,3S*,5R*,7S*,8S*,9S*,13S*,15R*)-3,9,15-TRIHYDROXY-5,7-DI-(2-METHYLPROPYONYLOXY)-8-(2-XI-METHYLBUTYROYLOXY)-14-OXO-JATROPHA-6(17),11E-DIENE
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C33H52O10
InChI InChI=1S/C33H52O10/c1-12-18(6)31(39)43-26-25(42-30(38)17(4)5)21(9)24(41-29(37)16(2)3)22-23(34)20(8)15-33(22,40)27(35)19(7)13-14-32(10,11)28(26)36/h13-14,16-20,22-26,28,34,36,40H,9,12,15H2,1-8,10-11H3/b14-13+/t18?,19-,20-,22+,23-,24-,25-,26+,28-,33+/m0/s1
InChIKey VJYZDSWWFJGHOU-LDOFLPMTSA-N
Literature Reference Author J.JAKUPOVIC,F.JESKE,T.MORGENSTERN,F.TSICHRITZIS,J.A.MARCO,W. BERENDSOHN
Literature Reference Citation PHYTOCHEM.,47,1583(1998)
Literature Reference DOI 10.1016/S0031-9422(97)00830-3
Molecular Weight 608.770 g/mol
Solvent CDCl3
Source File Reference UWMS821