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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-7,8,9-TRIACETATE-2,5-BIS-(2-METHYLBUTYRATE)
SpectraBase Compound ID 3wvnkMRNRBM
InChI InChI=1S/C36H54O13/c1-13-18(3)32(42)48-26-21(6)27(45-22(7)37)28(46-23(8)38)31(47-24(9)39)34(10,11)16-15-20(5)29(40)36(44)17-35(12,30(41)25(26)36)49-33(43)19(4)14-2/h15-16,18-20,25-28,30-31,41,44H,6,13-14,17H2,1-5,7-12H3/b16-15+/t18?,19?,20-,25-,26-,27-,28+,30+,31+,35+,36+/m0/s1
InChIKey RUVWLTFGVRKTJD-LDRLNTJNSA-N
Mol Weight 694.8 g/mol
Molecular Formula C36H54O13
Exact Mass 694.356442 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9GXSKaSdFoX
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-7,8,9-TRIACETATE-2,5-BIS-(2-METHYLBUTYRATE)
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H54O13
InChI InChI=1S/C36H54O13/c1-13-18(3)32(42)48-26-21(6)27(45-22(7)37)28(46-23(8)38)31(47-24(9)39)34(10,11)16-15-20(5)29(40)36(44)17-35(12,30(41)25(26)36)49-33(43)19(4)14-2/h15-16,18-20,25-28,30-31,41,44H,6,13-14,17H2,1-5,7-12H3/b16-15+/t18?,19?,20-,25-,26-,27-,28+,30+,31+,35+,36+/m0/s1
InChIKey RUVWLTFGVRKTJD-LDRLNTJNSA-N
Literature Reference Author J.A.MARCO,J.F.SANZ-CERVERA,J.CHECA,E.PALOMARES,B.M.FRAGA
Literature Reference Citation PHYTOCHEM.,52,479(1999)
Literature Reference DOI 10.1016/S0031-9422(99)00166-1
Molecular Weight 694.817 g/mol
Solvent CDCl3
Source File Reference UWVN599