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BOIVINIDE_D;COROTOXIGENIN_3-O-[BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-BOIVINOPYRANOSIDE]
SpectraBase Compound ID 4SN2BEYO0N
InChI InChI=1S/C35H52O13/c1-17-31(48-32-30(42)29(41)28(40)25(14-36)47-32)24(38)13-27(45-17)46-20-5-9-34(16-37)19(12-20)3-4-23-22(34)6-8-33(2)21(7-10-35(23,33)43)18-11-26(39)44-15-18/h11,16-17,19-25,27-32,36,38,40-43H,3-10,12-15H2,1-2H3/t17-,19+,20+,21-,22?,23?,24+,25+,27-,28+,29-,30+,31-,32-,33-,34-,35+/m1/s1
InChIKey DNLXAKKKWMFLON-QAMOOYNMSA-N
Mol Weight 680.8 g/mol
Molecular Formula C35H52O13
Exact Mass 680.340792 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 18DeulTt3xa
Name BOIVINIDE_D;COROTOXIGENIN_3-O-[BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-BOIVINOPYRANOSIDE]
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C35H52O13
InChI InChI=1S/C35H52O13/c1-17-31(48-32-30(42)29(41)28(40)25(14-36)47-32)24(38)13-27(45-17)46-20-5-9-34(16-37)19(12-20)3-4-23-22(34)6-8-33(2)21(7-10-35(23,33)43)18-11-26(39)44-15-18/h11,16-17,19-25,27-32,36,38,40-43H,3-10,12-15H2,1-2H3/t17-,19+,20+,21-,22?,23?,24+,25+,27-,28+,29-,30+,31-,32-,33-,34-,35+/m1/s1
InChIKey DNLXAKKKWMFLON-QAMOOYNMSA-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 680.790 g/mol
Sample ID 31054
Solvent CD3OD