John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=4eILLaUvX8o SpectraBase Spectrum ID=3LqujkSW1L3

(accessed ).
1-O-(4-HYDROXY-2-METHYLENE-BUTANOIC-ACID)-6-O-BETA-D-(ISOVALEROYL)-GLUCOPYRANOSIDE
SpectraBase Compound ID 4eILLaUvX8o
InChI InChI=1S/C16H26O9/c1-8(2)6-11(17)24-7-10-12(18)13(19)14(20)16(25-10)23-5-4-9(3)15(21)22/h8,10,12-14,16,18-20H,3-7H2,1-2H3,(H,21,22)/t10-,12-,13+,14-,16-/m1/s1
InChIKey IEOICVNLNNZYCX-RSQMQNDGSA-N
Mol Weight 362.38 g/mol
Molecular Formula C16H26O9
Exact Mass 362.157683 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3LqujkSW1L3
Name 1-O-(4-HYDROXY-2-METHYLENE-BUTANOIC-ACID)-6-O-BETA-D-(ISOVALEROYL)-GLUCOPYRANOSIDE
Compound Number 3
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H26O9
InChI InChI=1S/C16H26O9/c1-8(2)6-11(17)24-7-10-12(18)13(19)14(20)16(25-10)23-5-4-9(3)15(21)22/h8,10,12-14,16,18-20H,3-7H2,1-2H3,(H,21,22)/t10-,12-,13+,14-,16-/m1/s1
InChIKey IEOICVNLNNZYCX-RSQMQNDGSA-N
Literature Reference Author L.LEPORE,N.MALAFRONTE,F.B.CONDERO,M.J.GUALTIERI,S.ABDO,F.D.P IAZ,N.DETOMMASI
Literature Reference Citation FITOTERAPIA,82,178(2011)
Literature Reference DOI 10.1016/j.fitote.2010.08.018
Molecular Weight 362.377 g/mol
Solvent CD3OD
Source File Reference UWDB1182
SpectraBase Batch ID 70qXwmCpemY