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ESULATIN-D;2,3,5,7,9,15-HEXAACETOXYJATROPHA-6(17),11E-DIENE-14-ONE
SpectraBase Compound ID 11XywZRoEtc
InChI InChI=1S/C32H44O13/c1-16-12-13-30(9,10)25(41-19(4)34)14-24(40-18(3)33)17(2)27(42-20(5)35)26-29(43-21(6)36)31(11,44-22(7)37)15-32(26,28(16)39)45-23(8)38/h12-13,16,24-27,29H,2,14-15H2,1,3-11H3/b13-12+/t16-,24-,25-,26+,27+,29?,31-,32-/m1/s1
InChIKey OPQAEQYPBHCNDV-UKSJKSNCSA-N
Mol Weight 636.7 g/mol
Molecular Formula C32H44O13
Exact Mass 636.278191 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3dDK3LHvhJc
Name ESULATIN-D;2,3,5,7,9,15-HEXAACETOXYJATROPHA-6(17),11E-DIENE-14-ONE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C32H44O13
InChI InChI=1S/C32H44O13/c1-16-12-13-30(9,10)25(41-19(4)34)14-24(40-18(3)33)17(2)27(42-20(5)35)26-29(43-21(6)36)31(11,44-22(7)37)15-32(26,28(16)39)45-23(8)38/h12-13,16,24-27,29H,2,14-15H2,1,3-11H3/b13-12+/t16-,24-,25-,26+,27+,29?,31-,32-/m1/s1
InChIKey OPQAEQYPBHCNDV-UKSJKSNCSA-N
Literature Reference Author G.GUENTHER,J.HOHMANN,A.VASAS,I.MATHE,G.DOMBI,G.JERKOVICH
Literature Reference Citation PHYTOCHEM.,47,1309(1998)
Literature Reference DOI 10.1016/S0031-9422(97)00749-8
Molecular Weight 636.694 g/mol
Solvent CDCl3
Source File Reference UWMS718