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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-ISOBUTYRATE-5-(2-METHYLBUTY
SpectraBase Compound ID 5dm6097x0Yk
InChI InChI=1S/C35H52O13/c1-13-18(4)32(42)47-25-20(6)26(44-21(7)36)27(45-22(8)37)30(46-23(9)38)33(10,11)15-14-19(5)28(39)35(43)16-34(12,29(40)24(25)35)48-31(41)17(2)3/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 MTVJIIVXYHLVLE-QTHRYIAWSA-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 HKISqsWz00
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-ISOBUTYRATE-5-(2-METHYLBUTY
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C35H52O13
InChI InChI=1S/C35H52O13/c1-13-18(4)32(42)47-25-20(6)26(44-21(7)36)27(45-22(8)37)30(46-23(9)38)33(10,11)15-14-19(5)28(39)35(43)16-34(12,29(40)24(25)35)48-31(41)17(2)3/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 MTVJIIVXYHLVLE-QTHRYIAWSA-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 UWVN600