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(2R,3R,4R,5R,7S,8S,9S,11E,13S,15R)-2,3,5,7,8,9,15-HEPTAHYDROXYJATROPHA-6(17),11-DIENE-14-ONE-7,8,9-TRIACETATE-2-NICOTINATE-5-(2-METHYLBUTYRA
SpectraBase Compound ID IJ0qj7Rb8DP
InChI InChI=1S/C37H49NO13/c1-11-19(2)33(44)50-27-21(4)28(47-22(5)39)29(48-23(6)40)32(49-24(7)41)35(8,9)15-14-20(3)30(42)37(46)18-36(10,31(43)26(27)37)51-34(45)25-13-12-16-38-17-25/h12-17,19-20,26-29,31-32,43,46H,4,11,18H2,1-3,5-10H3/b15-14+/t19?,20-,26-,27-,28-,29+,31+,32+,36+,37+/m0/s1
InChIKey LOFYLMVVNBTSKH-VKDMDYRBSA-N
Mol Weight 715.8 g/mol
Molecular Formula C37H49NO13
Exact Mass 715.320391 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EcTE8VP22ms
Name (2R,3R,4R,5R,7S,8S,9S,11E,13S,15R)-2,3,5,7,8,9,15-HEPTAHYDROXYJATROPHA-6(17),11-DIENE-14-ONE-7,8,9-TRIACETATE-2-NICOTINATE-5-(2-METHYLBUTYRA
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C37H49NO13
InChI InChI=1S/C37H49NO13/c1-11-19(2)33(44)50-27-21(4)28(47-22(5)39)29(48-23(6)40)32(49-24(7)41)35(8,9)15-14-20(3)30(42)37(46)18-36(10,31(43)26(27)37)51-34(45)25-13-12-16-38-17-25/h12-17,19-20,26-29,31-32,43,46H,4,11,18H2,1-3,5-10H3/b15-14+/t19?,20-,26-,27-,28-,29+,31+,32+,36+,37+/m0/s1
InChIKey LOFYLMVVNBTSKH-VKDMDYRBSA-N
Literature Reference Author J.A.MARCO,J.F.SANZ-CERVERA,J.CHECA,E.PALOMARES,B.M.FRAGA
Literature Reference Citation PHYTOCHEM.,52,479(1999)
Literature Reference DOI 10.1016/S0031-9422(99)00166-1
Molecular Weight 715.795 g/mol
Solvent CDCl3
Source File Reference UWVN601