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8,12-DIACETYLINGOL-3,7-DITIGLATE

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8,12-DIACETYLINGOL-3,7-DITIGLATE
SpectraBase Compound ID EfojmZb5xYR
InChI InChI=1S/C34H46O10/c1-12-16(3)30(38)42-25-18(5)14-34-29(43-31(39)17(4)13-2)19(6)15-33(34,44-34)28(37)20(7)26(40-21(8)35)23-24(32(23,10)11)27(25)41-22(9)36/h12-14,19-20,23-27,29H,15H2,1-11H3/b16-12+,17-13+,18-14+/t19-,20+,23-,24+,25+,26+,27-,29-,33-,34-/m0/s1
InChIKey LNFBPLJSOTXQEI-KKQUAPKMSA-N
Mol Weight 614.7 g/mol
Molecular Formula C34H46O10
Exact Mass 614.309098 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4XazsXHn7m7
Name 8,12-DIACETYLINGOL-3,7-DITIGLATE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C34H46O10
InChI InChI=1S/C34H46O10/c1-12-16(3)30(38)42-25-18(5)14-34-29(43-31(39)17(4)13-2)19(6)15-33(34,44-34)28(37)20(7)26(40-21(8)35)23-24(32(23,10)11)27(25)41-22(9)36/h12-14,19-20,23-27,29H,15H2,1-11H3/b16-12+,17-13+,18-14+/t19-,20+,23-,24+,25+,26+,27-,29-,33-,34-/m0/s1
InChIKey LNFBPLJSOTXQEI-KKQUAPKMSA-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 614.733 g/mol
Sample ID 32685
Solvent CDCl3