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17-BENZOYLOXY-20-O-(2,3-DIMETHYLBUTANOYL)-13-(2,3-DIMETHYLBUTANOYLOXY)-INGENOL
SpectraBase Compound ID FzBXO6WxmmB
InChI InChI=1S/C39H52O10/c1-20(2)24(7)33(43)47-18-27-15-28-29-36(9,19-48-35(45)26-13-11-10-12-14-26)38(29,49-34(44)25(8)21(3)4)17-23(6)37(32(28)42)16-22(5)30(40)39(37,46)31(27)41/h10-16,20-21,23-25,28-31,40-41,46H,17-19H2,1-9H3/t23-,24?,25?,28+,29-,30+,31-,36+,37+,38+,39-/m1/s1
InChIKey WDKPBNYMKPOGBR-PPUIQQMJSA-N
Mol Weight 680.8 g/mol
Molecular Formula C39H52O10
Exact Mass 680.356048 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2Xhz848HXca
Name 17-BENZOYLOXY-20-O-(2,3-DIMETHYLBUTANOYL)-13-(2,3-DIMETHYLBUTANOYLOXY)-INGENOL
Compound Number 71
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C39H52O10
InChI InChI=1S/C39H52O10/c1-20(2)24(7)33(43)47-18-27-15-28-29-36(9,19-48-35(45)26-13-11-10-12-14-26)38(29,49-34(44)25(8)21(3)4)17-23(6)37(32(28)42)16-22(5)30(40)39(37,46)31(27)41/h10-16,20-21,23-25,28-31,40-41,46H,17-19H2,1-9H3/t23-,24?,25?,28+,29-,30+,31-,36+,37+,38+,39-/m1/s1
InChIKey WDKPBNYMKPOGBR-PPUIQQMJSA-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 680.836 g/mol
Sample ID 69951
Solvent CDCl3