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2-(TETRADECYL)-HEXADECYL-O-(3,6-DI-O-SULFO-BETA-D-GALACTOPYRANOSYL)-(1->4)-BETA-D-GLUCOPYRANOSIDE-DISODIUM-SALT
SpectraBase Compound ID GSYIJUj9xkv
InChI InChI=1S/C42H82O17S2.2Na/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-32(28-26-24-22-20-18-16-14-12-10-8-6-4-2)30-54-41-37(46)36(45)39(33(29-43)56-41)58-42-38(47)40(59-61(51,52)53)35(44)34(57-42)31-55-60(48,49)50;;/h32-47H,3-31H2,1-2H3,(H,48,49,50)(H,51,52,53);;/q;2*+1/p-2/t33-,34-,35+,36-,37-,38-,39-,40+,41-,42+;;/m1../s1
InChIKey GEJZFVAFXUKTEF-AKYFVCTCSA-L
Mol Weight 967.18453856 g/mol
Molecular Formula C42H80Na2O17S2
Exact Mass 966.463232 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KINcRT8Kg0A
Name 2-(TETRADECYL)-HEXADECYL-O-(3,6-DI-O-SULFO-BETA-D-GALACTOPYRANOSYL)-(1->4)-BETA-D-GLUCOPYRANOSIDE-DISODIUM-SALT
Compound Number 12C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H80Na2O17S2
InChI InChI=1S/C42H82O17S2.2Na/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-32(28-26-24-22-20-18-16-14-12-10-8-6-4-2)30-54-41-37(46)36(45)39(33(29-43)56-41)58-42-38(47)40(59-61(51,52)53)35(44)34(57-42)31-55-60(48,49)50;;/h32-47H,3-31H2,1-2H3,(H,48,49,50)(H,51,52,53);;/q;2*+1/p-2/t33-,34-,35+,36-,37-,38-,39-,40+,41-,42+;;/m1../s1
InChIKey GEJZFVAFXUKTEF-AKYFVCTCSA-L
Literature Reference Author T.IKAMI,N.TSURUTA,H.INAGAKI,T.KAKIGAMI,Y.MATSUMOTO,N.TOMIYA, T.JOMORI,T.USUI,Y.SU
Literature Reference Citation CHEM.PHARM.BULL.,46,797(1998)
Literature Reference DOI 10.1248/cpb.46.797
Molecular Weight 967.187 g/mol
Solvent DMSO-D6
Source File Reference UWMS6345