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CIBTOTIUMBAROSIDE_A;3-[(6-O-PROTOCATECHUOYL-BETA-D-GLUCOPYROSYLOXY)-METHYL]-2-(5-H)-FURANONE
SpectraBase Compound ID IEpLgcwkOCC
InChI InChI=1S/C18H20O11/c19-10-2-1-8(5-11(10)20)16(24)27-7-12-13(21)14(22)15(23)18(29-12)28-6-9-3-4-26-17(9)25/h1-3,5,12-15,18-23H,4,6-7H2/t12-,13-,14+,15-,18-/m0/s1
InChIKey MPWNIHQZXAKHOM-GLRLOKQVSA-N
Mol Weight 412.35 g/mol
Molecular Formula C18H20O11
Exact Mass 412.100561 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7NPy9d5OM2Z
Name CIBTOTIUMBAROSIDE_A;3-[(6-O-PROTOCATECHUOYL-BETA-D-GLUCOPYROSYLOXY)-METHYL]-2-(5-H)-FURANONE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H20O11
InChI InChI=1S/C18H20O11/c19-10-2-1-8(5-11(10)20)16(24)27-7-12-13(21)14(22)15(23)18(29-12)28-6-9-3-4-26-17(9)25/h1-3,5,12-15,18-23H,4,6-7H2/t12-,13-,14+,15-,18-/m0/s1
InChIKey MPWNIHQZXAKHOM-GLRLOKQVSA-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 412.350 g/mol
Sample ID 33570
Solvent CD3OD