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(2S*,3S*,4R*,5R*,7R*,13R*,14R*,15R*)-5,7,14-TRIACETOXY-3-BENZOYLOXY-15-HYDROXY-9-OXOJATROPHA-6(17),11-DIENE
SpectraBase Compound ID A53V2vt0Nne
InChI InChI=1S/C33H42O10/c1-18-14-15-32(7,8)26(37)16-25(40-21(4)34)20(3)29(41-22(5)35)27-28(43-31(38)24-12-10-9-11-13-24)19(2)17-33(27,39)30(18)42-23(6)36/h9-15,18-19,25,27-30,39H,3,16-17H2,1-2,4-8H3/b15-14-/t18-,19+,25-,27-,28+,29+,30-,33-/m0/s1
InChIKey QPKPYRGCZAZZJU-UNBHOJKZSA-N
Mol Weight 598.7 g/mol
Molecular Formula C33H42O10
Exact Mass 598.277798 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EkMlTdVdGcV
Name (2S*,3S*,4R*,5R*,7R*,13R*,14R*,15R*)-5,7,14-TRIACETOXY-3-BENZOYLOXY-15-HYDROXY-9-OXOJATROPHA-6(17),11-DIENE
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C33H42O10
InChI InChI=1S/C33H42O10/c1-18-14-15-32(7,8)26(37)16-25(40-21(4)34)20(3)29(41-22(5)35)27-28(43-31(38)24-12-10-9-11-13-24)19(2)17-33(27,39)30(18)42-23(6)36/h9-15,18-19,25,27-30,39H,3,16-17H2,1-2,4-8H3/b15-14-/t18-,19+,25-,27-,28+,29+,30-,33-/m0/s1
InChIKey QPKPYRGCZAZZJU-UNBHOJKZSA-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 598.690 g/mol
Solvent CDCl3
Source File Reference UWCP186