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(2S*,3S*,4R*,5R*,7S*,8R*,13R*,14R*,15R*)-5,7,14-TRIACETOXY-3-BENZOYLOXY-8-ISOBUTYROYL-15-HYDROXY-9-OXOJATROPHA-6(17),11-DIENE

View entire compound with spectra: 1 NMR

(2S*,3S*,4R*,5R*,7S*,8R*,13R*,14R*,15R*)-5,7,14-TRIACETOXY-3-BENZOYLOXY-8-ISOBUTYROYL-15-HYDROXY-9-OXOJATROPHA-6(17),11-DIENE
SpectraBase Compound ID FmRw6Y7X9NS
InChI InChI=1S/C37H48O12/c1-19(2)34(42)49-31-30(46-24(7)39)22(5)29(45-23(6)38)27-28(48-35(43)26-14-12-11-13-15-26)21(4)18-37(27,44)33(47-25(8)40)20(3)16-17-36(9,10)32(31)41/h11-17,19-21,27-31,33,44H,5,18H2,1-4,6-10H3/b17-16-/t20-,21+,27-,28+,29+,30+,31-,33-,37-/m0/s1
InChIKey MXOYUWCRNWWMAH-YKBJIEKUSA-N
Mol Weight 684.8 g/mol
Molecular Formula C37H48O12
Exact Mass 684.314577 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8UD0F00ZtQN
Name (2S*,3S*,4R*,5R*,7S*,8R*,13R*,14R*,15R*)-5,7,14-TRIACETOXY-3-BENZOYLOXY-8-ISOBUTYROYL-15-HYDROXY-9-OXOJATROPHA-6(17),11-DIENE
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C37H48O12
InChI InChI=1S/C37H48O12/c1-19(2)34(42)49-31-30(46-24(7)39)22(5)29(45-23(6)38)27-28(48-35(43)26-14-12-11-13-15-26)21(4)18-37(27,44)33(47-25(8)40)20(3)16-17-36(9,10)32(31)41/h11-17,19-21,27-31,33,44H,5,18H2,1-4,6-10H3/b17-16-/t20-,21+,27-,28+,29+,30+,31-,33-,37-/m0/s1
InChIKey MXOYUWCRNWWMAH-YKBJIEKUSA-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 684.781 g/mol
Solvent CDCl3
Source File Reference UWCP183