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(2S*,3S*,6S*,7R*,8R*,9S*,13S*,14S*,15R*)-8,9,14,15-TETRAACETOXY-3,7-DIBENZOYLOXY-6-HYDROXY-JATROPHA-4E,11E-DIENE
SpectraBase Compound ID 2fgNw70O5Q6
InChI InChI=1S/C42H50O13/c1-24-20-21-40(7,8)36(52-28(5)45)34(50-26(3)43)37(54-39(48)31-18-14-11-15-19-31)41(9,49)23-32-33(53-38(47)30-16-12-10-13-17-30)25(2)22-42(32,55-29(6)46)35(24)51-27(4)44/h10-21,23-25,33-37,49H,22H2,1-9H3/b21-20+,32-23+/t24-,25-,33-,34+,35-,36+,37+,41-,42+/m0/s1
InChIKey UASAPDRSKOIWJE-PNZDYJDLSA-N
Mol Weight 762.8 g/mol
Molecular Formula C42H50O13
Exact Mass 762.325142 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4vCkYmQy2ah
Name (2S*,3S*,6S*,7R*,8R*,9S*,13S*,14S*,15R*)-8,9,14,15-TETRAACETOXY-3,7-DIBENZOYLOXY-6-HYDROXY-JATROPHA-4E,11E-DIENE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H50O13
InChI InChI=1S/C42H50O13/c1-24-20-21-40(7,8)36(52-28(5)45)34(50-26(3)43)37(54-39(48)31-18-14-11-15-19-31)41(9,49)23-32-33(53-38(47)30-16-12-10-13-17-30)25(2)22-42(32,55-29(6)46)35(24)51-27(4)44/h10-21,23-25,33-37,49H,22H2,1-9H3/b21-20+,32-23+/t24-,25-,33-,34+,35-,36+,37+,41-,42+/m0/s1
InChIKey UASAPDRSKOIWJE-PNZDYJDLSA-N
Literature Reference Author J.HOHMANN,J.MOLNAR,D.REDEI,F.EVANCS,P.FORGO,A.KALMAN,G.ARGAY ,P.SZABO
Literature Reference Citation J.MED.CHEM.,45,2425(2002)
Literature Reference DOI 10.1021/jm0111301
Molecular Weight 762.851 g/mol
Sample ID 64396
Solvent CDCl3