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8,12-O-DIACETYLINGOL_3,7-DIBENZOATE

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8,12-O-DIACETYLINGOL_3,7-DIBENZOATE
SpectraBase Compound ID 4leDhIpGA9u
InChI InChI=1S/C38H42O10/c1-20-18-38-33(47-35(43)26-16-12-9-13-17-26)21(2)19-37(38,48-38)32(41)22(3)30(44-23(4)39)27-28(36(27,6)7)31(45-24(5)40)29(20)46-34(42)25-14-10-8-11-15-25/h8-18,21-22,27-31,33H,19H2,1-7H3/b20-18+/t21-,22+,27-,28+,29+,30+,31-,33-,37-,38-/m0/s1
InChIKey JNOVCEAOWZMYOJ-RZYMXWEKSA-N
Mol Weight 658.7 g/mol
Molecular Formula C38H42O10
Exact Mass 658.277798 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8fLs3gbkCC6
Name 8,12-O-DIACETYLINGOL_3,7-DIBENZOATE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C38H42O10
InChI InChI=1S/C38H42O10/c1-20-18-38-33(47-35(43)26-16-12-9-13-17-26)21(2)19-37(38,48-38)32(41)22(3)30(44-23(4)39)27-28(36(27,6)7)31(45-24(5)40)29(20)46-34(42)25-14-10-8-11-15-25/h8-18,21-22,27-31,33H,19H2,1-7H3/b20-18+/t21-,22+,27-,28+,29+,30+,31-,33-,37-,38-/m0/s1
InChIKey JNOVCEAOWZMYOJ-RZYMXWEKSA-N
Literature Reference Author X.L.LI,Y.LI,S.F.WANG,Y.L.ZHAO,K.C.LIU,X.M.WANG,Y.P.YANG
Literature Reference Citation J.NAT.PROD.,72,1001(2009)
Literature Reference DOI 10.1021/np800816n
Molecular Weight 658.745 g/mol
Sample ID 32688
Solvent CDCl3