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14-ALPHA,15-BETA-DIACETOXY-3-BETA-3-BETA,7-BETA-DIBENZOYLOXY-17-HYDROXY-9-OXO-2-BETA-H,13-BETA-H-JATROPHA-5-E,11-E-DIENE
SpectraBase Compound ID IwoqNixnNVS
InChI InChI=1S/C38H44O10/c1-23-17-18-37(5,6)32(42)20-31(46-35(43)27-13-9-7-10-14-27)29(22-39)19-30-33(47-36(44)28-15-11-8-12-16-28)24(2)21-38(30,48-26(4)41)34(23)45-25(3)40/h7-19,23-24,30-31,33-34,39H,20-22H2,1-6H3/b18-17+,29-19+/t23-,24-,30+,31-,33+,34-,38-/m1/s1
InChIKey ADONXPDCJFWYAQ-KMXGTDMESA-N
Mol Weight 660.8 g/mol
Molecular Formula C38H44O10
Exact Mass 660.293448 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Clds3GZJygw
Name 14-ALPHA,15-BETA-DIACETOXY-3-BETA-3-BETA,7-BETA-DIBENZOYLOXY-17-HYDROXY-9-OXO-2-BETA-H,13-BETA-H-JATROPHA-5-E,11-E-DIENE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C38H44O10
InChI InChI=1S/C38H44O10/c1-23-17-18-37(5,6)32(42)20-31(46-35(43)27-13-9-7-10-14-27)29(22-39)19-30-33(47-36(44)28-15-11-8-12-16-28)24(2)21-38(30,48-26(4)41)34(23)45-25(3)40/h7-19,23-24,30-31,33-34,39H,20-22H2,1-6H3/b18-17+,29-19+/t23-,24-,30+,31-,33+,34-,38-/m1/s1
InChIKey ADONXPDCJFWYAQ-KMXGTDMESA-N
Literature Reference Author Z.Q.LU,S.H.GUAN,X.N.LI,G.T.CHEN,J.Q.ZHANG,H.L.HUANG,X.LIU,D. A.GUO
Literature Reference Citation J.NAT.PROD.,71,873(2008)
Literature Reference DOI 10.1021/np0706163
Molecular Weight 660.761 g/mol
Sample ID 28314
Solvent CDCl3