John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=4eIIdop3SyQ SpectraBase Spectrum ID=Hbp9YsZc0O8

(accessed ).
(2R,3R,4R,5R,7S,8S,9S,11E,13S,15R)-2,3,5,7,8,9,15-HEPTAHYDROXYJATROPHA-6(17),11-DIENE-14-ONE-2,8,9-TRIACETATE-7-ISOBUTYRATE-5-(2-METHYLBUTYR
SpectraBase Compound ID 4eIIdop3SyQ
InChI InChI=1S/C35H52O13/c1-13-18(4)32(42)46-25-20(6)26(47-31(41)17(2)3)27(44-21(7)36)30(45-22(8)37)33(10,11)15-14-19(5)28(39)35(43)16-34(12,48-23(9)38)29(40)24(25)35/h14-15,17-19,24-27,29-30,40,43H,6,13,16H2,1-5,7-12H3/b15-14+/t18?,19-,24-,25-,26-,27+,29+,30+,34+,35+/m0/s1
InChIKey JTCVIGJLSZVQQP-NHJZGIODSA-N
Mol Weight 680.8 g/mol
Molecular Formula C35H52O13
Exact Mass 680.340792 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Hbp9YsZc0O8
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-2,8,9-TRIACETATE-7-ISOBUTYRATE-5-(2-METHYLBUTYR
Compound Number 5
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C35H52O13
InChI InChI=1S/C35H52O13/c1-13-18(4)32(42)46-25-20(6)26(47-31(41)17(2)3)27(44-21(7)36)30(45-22(8)37)33(10,11)15-14-19(5)28(39)35(43)16-34(12,48-23(9)38)29(40)24(25)35/h14-15,17-19,24-27,29-30,40,43H,6,13,16H2,1-5,7-12H3/b15-14+/t18?,19-,24-,25-,26-,27+,29+,30+,34+,35+/m0/s1
InChIKey JTCVIGJLSZVQQP-NHJZGIODSA-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 680.790 g/mol
Solvent CDCl3
Source File Reference UWVN603
SpectraBase Batch ID LjqCGLdEhti