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8-ALPHA-O-BETA-D-GLUCOPYRANOSYLLABD-13-E-ENE-15,19-DIOL-8-ALPHA-2',3',4',6'-HEXAACETATE
SpectraBase Compound ID HYeqT3kB7k5
InChI InChI=1S/C38H58O14/c1-22(15-19-45-23(2)39)12-13-31-37(9)17-11-16-36(8,21-47-25(4)41)30(37)14-18-38(31,10)52-35-34(50-28(7)44)33(49-27(6)43)32(48-26(5)42)29(51-35)20-46-24(3)40/h15,29-35H,11-14,16-21H2,1-10H3/b22-15+/t29-,30+,31-,32-,33+,34-,35+,36+,37+,38-/m1/s1
InChIKey AOIJKFTVNBVRGF-PFXVNWGLSA-N
Mol Weight 738.9 g/mol
Molecular Formula C38H58O14
Exact Mass 738.382657 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6WCdlCij2ZO
Name 8-ALPHA-O-BETA-D-GLUCOPYRANOSYLLABD-13-E-ENE-15,19-DIOL-8-ALPHA-2',3',4',6'-HEXAACETATE
Compound Number 3A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C38H58O14
InChI InChI=1S/C38H58O14/c1-22(15-19-45-23(2)39)12-13-31-37(9)17-11-16-36(8,21-47-25(4)41)30(37)14-18-38(31,10)52-35-34(50-28(7)44)33(49-27(6)43)32(48-26(5)42)29(51-35)20-46-24(3)40/h15,29-35H,11-14,16-21H2,1-10H3/b22-15+/t29-,30+,31-,32-,33+,34-,35+,36+,37+,38-/m1/s1
InChIKey AOIJKFTVNBVRGF-PFXVNWGLSA-N
Literature Reference Author M.E.F.HEGAZY,S.OHTA,F.F.ABDEL-LATIF,H.A.ALBADRY,E.OHTA,P.W.P ARE,T.HIRATA
Literature Reference Citation J.NAT.PROD.,71,1070(2008)
Literature Reference DOI 10.1021/np800017x
Molecular Weight 738.870 g/mol
Sample ID 28115
Solvent CDCl3