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SULFATRICALYSINE-B;3,4,5-TRIMETHOXY-BENZYL-ALCOHOL-[7-O-(4'-O-SULFATE)-BETA-D-GLUCOPYRANOSIDE]
SpectraBase Compound ID AvWtILZrMd7
InChI InChI=1S/C16H24O12S/c1-23-9-4-8(5-10(24-2)14(9)25-3)7-26-16-13(19)12(18)15(11(6-17)27-16)28-29(20,21)22/h4-5,11-13,15-19H,6-7H2,1-3H3,(H,20,21,22)/t11-,12-,13-,15-,16-/m1/s1
InChIKey YOSWIZZOBDPMTP-GLKFPVFTSA-N
Mol Weight 440.42 g/mol
Molecular Formula C16H24O12S
Exact Mass 440.098847 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LeAK2Pn4pP1
Name SULFATRICALYSINE-B;3,4,5-TRIMETHOXY-BENZYL-ALCOHOL-[7-O-(4'-O-SULFATE)-BETA-D-GLUCOPYRANOSIDE]
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H24O12S
InChI InChI=1S/C16H24O12S/c1-23-9-4-8(5-10(24-2)14(9)25-3)7-26-16-13(19)12(18)15(11(6-17)27-16)28-29(20,21)22/h4-5,11-13,15-19H,6-7H2,1-3H3,(H,20,21,22)/t11-,12-,13-,15-,16-/m1/s1
InChIKey YOSWIZZOBDPMTP-GLKFPVFTSA-N
Literature Reference Author J.SHITAMOTO,S.SUGIMOTO,K.MATSUNAMI,H.OTSUKA,T.SHINZATO,Y.TAK EDA
Literature Reference Citation CHEM.PHARM.BULL.,59,72(2011)
Literature Reference DOI 10.1248/cpb.59.72
Molecular Weight 440.419 g/mol
Sample ID 2617
Solvent CD3OD