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CIBTOTIUMBAROSIDE_B;3-[(4-O-CAFFEOYL-BETA-D-GLUCOPYRANOSYLOXY)-METHYL]-2,5-DIMETHOXY-3-HYDROXYTETRAHYDROFURAN
SpectraBase Compound ID CT5gZ8XCOHr
InChI InChI=1S/C22H30O13/c1-30-16-8-22(29,21(31-2)35-16)10-32-20-18(28)17(27)19(14(9-23)33-20)34-15(26)6-4-11-3-5-12(24)13(25)7-11/h3-7,14,16-21,23-25,27-29H,8-10H2,1-2H3/b6-4+/t14-,16+,17-,18-,19-,20-,21-,22+/m1/s1
InChIKey FETGVTKHZTUDCC-ZIYLAOJSSA-N
Mol Weight 502.47 g/mol
Molecular Formula C22H30O13
Exact Mass 502.168641 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7I5w0YzNyH1
Name CIBTOTIUMBAROSIDE_B;3-[(4-O-CAFFEOYL-BETA-D-GLUCOPYRANOSYLOXY)-METHYL]-2,5-DIMETHOXY-3-HYDROXYTETRAHYDROFURAN
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H30O13
InChI InChI=1S/C22H30O13/c1-30-16-8-22(29,21(31-2)35-16)10-32-20-18(28)17(27)19(14(9-23)33-20)34-15(26)6-4-11-3-5-12(24)13(25)7-11/h3-7,14,16-21,23-25,27-29H,8-10H2,1-2H3/b6-4+/t14-,16+,17-,18-,19-,20-,21-,22+/m1/s1
InChIKey FETGVTKHZTUDCC-ZIYLAOJSSA-N
Literature Reference Author N.X.CUONG,C.V.MINH,P.V.KIEM,H.T.HUONG,N.K.BAN,N.X.NHIEM,N.H. TUNG,J.W.JUNG,H.J.KI
Literature Reference Citation J.NAT.PROD.,72,1673(2009)
Literature Reference DOI 10.1021/np9004097
Molecular Weight 502.472 g/mol
Sample ID 33571
Solvent CD3OD