For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
13,17-DIBENZOYLOXY-3-O-(2,3-DIMETHYLBUTANOYL)-INGENOL
SpectraBase Compound ID Cj9rrkjWf9I
InChI InChI=1S/C40H46O10/c1-22(2)25(5)34(44)49-33-23(3)18-38-24(4)19-39(50-36(46)27-15-11-8-12-16-27)30(29(32(38)43)17-28(20-41)31(42)40(33,38)47)37(39,6)21-48-35(45)26-13-9-7-10-14-26/h7-18,22,24-25,29-31,33,41-42,47H,19-21H2,1-6H3/t24-,25?,29+,30-,31-,33+,37+,38+,39+,40+/m1/s1
InChIKey DLRGKCVHPTULPW-GMRCRSKVSA-N
Mol Weight 686.8 g/mol
Molecular Formula C40H46O10
Exact Mass 686.309098 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID IMNrQx41lhQ
Name 13,17-DIBENZOYLOXY-3-O-(2,3-DIMETHYLBUTANOYL)-INGENOL
Compound Number 67
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C40H46O10
InChI InChI=1S/C40H46O10/c1-22(2)25(5)34(44)49-33-23(3)18-38-24(4)19-39(50-36(46)27-15-11-8-12-16-27)30(29(32(38)43)17-28(20-41)31(42)40(33,38)47)37(39,6)21-48-35(45)26-13-9-7-10-14-26/h7-18,22,24-25,29-31,33,41-42,47H,19-21H2,1-6H3/t24-,25?,29+,30-,31-,33+,37+,38+,39+,40+/m1/s1
InChIKey DLRGKCVHPTULPW-GMRCRSKVSA-N
Literature Reference Author Q.C.WU,Y.P.TANG,A.W.DING,F.Q.YOU,L.ZHANG,J.A.DUAN
Literature Reference Citation MOLECULES,14,4454(2009)
Literature Reference DOI 10.3390/molecules14114454
Molecular Weight 686.799 g/mol
Sample ID 69947
Solvent CDCl3