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(2R*,3R*,4S*,5R*,7S*,8R*,13R*,15R*)-2,3,5,8,15-PENTAACETOXY-7-ISOBUTYROYLOXY-9,14-DIOXOJATROPHA-6(17),11-DIENE
SpectraBase Compound ID 43EsBCdCusJ
InChI InChI=1S/C34H46O14/c1-16(2)31(42)46-26-18(4)25(43-19(5)35)24-30(45-21(7)37)33(12,47-22(8)38)15-34(24,48-23(9)39)28(40)17(3)13-14-32(10,11)29(41)27(26)44-20(6)36/h13-14,16-17,24-27,30H,4,15H2,1-3,5-12H3/b14-13-/t17-,24+,25+,26+,27-,30-,33-,34-/m0/s1
InChIKey MTJFUGKCVVWIBD-XLHOFDEBSA-N
Mol Weight 678.7 g/mol
Molecular Formula C34H46O14
Exact Mass 678.288756 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E6S0I1xTcE7
Name (2R*,3R*,4S*,5R*,7S*,8R*,13R*,15R*)-2,3,5,8,15-PENTAACETOXY-7-ISOBUTYROYLOXY-9,14-DIOXOJATROPHA-6(17),11-DIENE
Compound Number 16
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C34H46O14
InChI InChI=1S/C34H46O14/c1-16(2)31(42)46-26-18(4)25(43-19(5)35)24-30(45-21(7)37)33(12,47-22(8)38)15-34(24,48-23(9)39)28(40)17(3)13-14-32(10,11)29(41)27(26)44-20(6)36/h13-14,16-17,24-27,30H,4,15H2,1-3,5-12H3/b14-13-/t17-,24+,25+,26+,27-,30-,33-,34-/m0/s1
InChIKey MTJFUGKCVVWIBD-XLHOFDEBSA-N
Literature Reference Author G.APPENDINO,S.JAKUPOVIC,G.C.TRON,J.JAKUPOVIC,V.MILON,M.BALLE RO
Literature Reference Citation J.NAT.PROD.,61,749(1998)
Literature Reference DOI 10.1021/np970507w
Molecular Weight 678.731 g/mol
Solvent CDCl3
Source File Reference UWCP190