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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-7,9-DIACETATE-8-BENZOATE-2,3-BIS-(2-METHYLBUTYR
SpectraBase Compound ID 3wv0oTr6nRg
InChI InChI=1S/C41H56O13/c1-12-22(3)36(46)52-30-25(6)31(50-26(7)42)32(53-38(48)28-17-15-14-16-18-28)35(51-27(8)43)39(9,10)20-19-24(5)33(44)41(49)21-40(11,34(45)29(30)41)54-37(47)23(4)13-2/h14-20,22-24,29-32,34-35,45,49H,6,12-13,21H2,1-5,7-11H3/b20-19+/t22?,23?,24-,29-,30-,31-,32+,34+,35+,40+,41+/m0/s1
InChIKey LZGDJPQYAWDSSS-YSHQVGPNSA-N
Mol Weight 756.9 g/mol
Molecular Formula C41H56O13
Exact Mass 756.372092 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Cw7kj8iGNF0
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-7,9-DIACETATE-8-BENZOATE-2,3-BIS-(2-METHYLBUTYR
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C41H56O13
InChI InChI=1S/C41H56O13/c1-12-22(3)36(46)52-30-25(6)31(50-26(7)42)32(53-38(48)28-17-15-14-16-18-28)35(51-27(8)43)39(9,10)20-19-24(5)33(44)41(49)21-40(11,34(45)29(30)41)54-37(47)23(4)13-2/h14-20,22-24,29-32,34-35,45,49H,6,12-13,21H2,1-5,7-11H3/b20-19+/t22?,23?,24-,29-,30-,31-,32+,34+,35+,40+,41+/m0/s1
InChIKey LZGDJPQYAWDSSS-YSHQVGPNSA-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 756.888 g/mol
Solvent CDCl3
Source File Reference UWVN604