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BOIVINIDE_E;5-EPICANNOGENINIC_ACID_3-O-[BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-BOIVINOPYRANOSIDE]
SpectraBase Compound ID 5weMxC12Yff
InChI InChI=1S/C35H52O14/c1-16-30(49-31-29(41)28(40)27(39)24(14-36)48-31)23(37)13-26(46-16)47-19-5-9-34(32(42)43)18(12-19)3-4-22-21(34)6-8-33(2)20(7-10-35(22,33)44)17-11-25(38)45-15-17/h11,16,18-24,26-31,36-37,39-41,44H,3-10,12-15H2,1-2H3,(H,42,43)/t16-,18+,19+,20-,21?,22?,23+,24+,26-,27+,28-,29+,30-,31-,33-,34-,35+/m1/s1
InChIKey ZVWJQICTCWWGNW-WSHSXEHRSA-N
Mol Weight 696.8 g/mol
Molecular Formula C35H52O14
Exact Mass 696.335706 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Gfc28a6jTlm
Name BOIVINIDE_E;5-EPICANNOGENINIC_ACID_3-O-[BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-BOIVINOPYRANOSIDE]
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C35H52O14
InChI InChI=1S/C35H52O14/c1-16-30(49-31-29(41)28(40)27(39)24(14-36)48-31)23(37)13-26(46-16)47-19-5-9-34(32(42)43)18(12-19)3-4-22-21(34)6-8-33(2)20(7-10-35(22,33)44)17-11-25(38)45-15-17/h11,16,18-24,26-31,36-37,39-41,44H,3-10,12-15H2,1-2H3,(H,42,43)/t16-,18+,19+,20-,21?,22?,23+,24+,26-,27+,28-,29+,30-,31-,33-,34-,35+/m1/s1
InChIKey ZVWJQICTCWWGNW-WSHSXEHRSA-N
Literature Reference Author S.KARKARE,E.ADOU,S.CAO,P.BRODIE,J.S.MILLER,N.M.ANDRIANJAFY,J .RAZAFITSALAMA,R.AND
Literature Reference Citation J.NAT.PROD.,70,1766(2007)
Literature Reference DOI 10.1021/np070336n
Molecular Weight 696.789 g/mol
Sample ID 31055
Solvent CD3OD