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3-O-BENZOYL-13,17-DIBENZOYLOXY-INGENOL

View entire compound with spectra: 2 NMR

3-O-BENZOYL-13,17-DIBENZOYLOXY-INGENOL
SpectraBase Compound ID F8NOxAfEia4
InChI InChI=1S/C41H40O10/c1-24-20-39-25(2)21-40(51-37(47)28-17-11-6-12-18-28)31(38(40,3)23-49-35(45)26-13-7-4-8-14-26)30(33(39)44)19-29(22-42)32(43)41(39,48)34(24)50-36(46)27-15-9-5-10-16-27/h4-20,25,30-32,34,42-43,48H,21-23H2,1-3H3/t25-,30+,31-,32-,34+,38+,39+,40+,41+/m1/s1
InChIKey NAWYIUSETIIFQL-UZZABKSLSA-N
Mol Weight 692.8 g/mol
Molecular Formula C41H40O10
Exact Mass 692.262147 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID X0vYYferdl
Name 3-O-BENZOYL-13,17-DIBENZOYLOXY-INGENOL
Compound Number 11
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C41H40O10
InChI InChI=1S/C41H40O10/c1-24-20-39-25(2)21-40(51-37(47)28-17-11-6-12-18-28)31(38(40,3)23-49-35(45)26-13-7-4-8-14-26)30(33(39)44)19-29(22-42)32(43)41(39,48)34(24)50-36(46)27-15-9-5-10-16-27/h4-20,25,30-32,34,42-43,48H,21-23H2,1-3H3/t25-,30+,31-,32-,34+,38+,39+,40+,41+/m1/s1
InChIKey NAWYIUSETIIFQL-UZZABKSLSA-N
Literature Reference Author Z.Q.LU,M.YANG,J.Q.ZHANG,G.T.CHEN,H.L.HUANG,S.H.GUAN,C.MA,X.L IU,D.A.GUO
Literature Reference Citation PHYTOCHEM.,69,812(2008)
Literature Reference DOI 10.1016/j.phytochem.2007.09.013
Molecular Weight 692.763 g/mol
Sample ID 42741
Solvent CDCl3