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SUPINANITRILOSIDE-B;SUPINANITRILOSIDE-A-6'-O-GALLATE;2-HYDROXYMETHYL-BUTANENITRILE-BETA-D-GLUCOPYRANOSIDE-6'-O-GALLATE
SpectraBase Compound ID 5cQgXle01qm
InChI InChI=1S/C18H23NO10/c1-2-8(5-19)6-28-18-16(25)15(24)14(23)12(29-18)7-27-17(26)9-3-10(20)13(22)11(21)4-9/h3-4,8,12,14-16,18,20-25H,2,6-7H2,1H3/t8?,12-,14-,15+,16-,18-/m1/s1
InChIKey QQCPAPQLZRXCKK-GTNKCIMGSA-N
Mol Weight 413.38 g/mol
Molecular Formula C18H23NO10
Exact Mass 413.132196 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5ZRzH9pJIqJ
Name SUPINANITRILOSIDE-B;SUPINANITRILOSIDE-A-6'-O-GALLATE;2-HYDROXYMETHYL-BUTANENITRILE-BETA-D-GLUCOPYRANOSIDE-6'-O-GALLATE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H23NO10
InChI InChI=1S/C18H23NO10/c1-2-8(5-19)6-28-18-16(25)15(24)14(23)12(29-18)7-27-17(26)9-3-10(20)13(22)11(21)4-9/h3-4,8,12,14-16,18,20-25H,2,6-7H2,1H3/t8?,12-,14-,15+,16-,18-/m1/s1
InChIKey QQCPAPQLZRXCKK-GTNKCIMGSA-N
Literature Reference Author W.H.CAI,K.MATSUNAMI,H.OTSUKA
Literature Reference Citation CHEM.PHARM.BULL.,57,840(2009)
Literature Reference DOI 10.1248/cpb.57.840
Molecular Weight 413.381 g/mol
Sample ID 2849
Solvent CD3OD