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(2S,3S,4S,5R,7S,8S,9S,11E,13S,15R)-3,5,7,8,9,15-HEXAHYDROXYJATROPHA-6(17),11-DIEN-14-ONE-5,7,8-TRIS-(2-METHYLBUTYRATE)
SpectraBase Compound ID LIQgMJYSuZO
InChI InChI=1S/C35H56O10/c1-12-18(4)31(39)43-26-23(9)27(44-32(40)19(5)13-2)28(45-33(41)20(6)14-3)30(38)34(10,11)16-15-21(7)29(37)35(42)17-22(8)25(36)24(26)35/h15-16,18-22,24-28,30,36,38,42H,9,12-14,17H2,1-8,10-11H3/b16-15+/t18?,19?,20?,21-,22-,24+,25-,26-,27-,28+,30+,35+/m0/s1
InChIKey LRIPNMFAXKXVOJ-LUDHUTMCSA-N
Mol Weight 636.8 g/mol
Molecular Formula C35H56O10
Exact Mass 636.387348 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CmrckQjNZHM
Name (2S,3S,4S,5R,7S,8S,9S,11E,13S,15R)-3,5,7,8,9,15-HEXAHYDROXYJATROPHA-6(17),11-DIEN-14-ONE-5,7,8-TRIS-(2-METHYLBUTYRATE)
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C35H56O10
InChI InChI=1S/C35H56O10/c1-12-18(4)31(39)43-26-23(9)27(44-32(40)19(5)13-2)28(45-33(41)20(6)14-3)30(38)34(10,11)16-15-21(7)29(37)35(42)17-22(8)25(36)24(26)35/h15-16,18-22,24-28,30,36,38,42H,9,12-14,17H2,1-8,10-11H3/b16-15+/t18?,19?,20?,21-,22-,24+,25-,26-,27-,28+,30+,35+/m0/s1
InChIKey LRIPNMFAXKXVOJ-LUDHUTMCSA-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 636.824 g/mol
Solvent CDCl3
Source File Reference UWMS857