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S-DODECYL-O-beta-D-GALAKTOPYRANOSYL-(1->4)-O-beta-D-GLUCOPYRANOYL-(1->4)-1-THIO-beta-D-GLUCOPYRANOSIDE
SpectraBase Compound ID IHlIRMV4zmQ
InChI InChI=1S/C30H56O15S/c1-2-3-4-5-6-7-8-9-10-11-12-46-30-25(40)22(37)27(18(15-33)43-30)45-29-24(39)21(36)26(17(14-32)42-29)44-28-23(38)20(35)19(34)16(13-31)41-28/h16-40H,2-15H2,1H3/t16-,17+,18+,19+,20+,21+,22+,23-,24+,25+,26+,27+,28+,29-,30-/m0/s1
InChIKey JGXVFGOIXVHVHF-LZLDELTBSA-N
Mol Weight 688.8 g/mol
Molecular Formula C30H56O15S
Exact Mass 688.333992 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID pHbm49MAx6
Name S-DODECYL-O-beta-D-GALAKTOPYRANOSYL-(1->4)-O-beta-D-GLUCOPYRANOYL-(1->4)-1-THIO-beta-D-GLUCOPYRANOSIDE
Compound Number 3H
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C30H56O15S/c1-2-3-4-5-6-7-8-9-10-11-12-46-30-25(40)22(37)27(18(15-33)43-30)45-29-24(39)21(36)26(17(14-32)42-29)44-28-23(38)20(35)19(34)16(13-31)41-28/h16-40H,2-15H2,1H3/t16-,17+,18+,19+,20+,21+,22+,23-,24+,25+,26+,27+,28+,29-,30-/m0/s1
InChIKey JGXVFGOIXVHVHF-LZLDELTBSA-N
Literature Reference O.KARTHAUS,S.SHODA,H.TAKANO,K.OBATA,S.KOBAYASHI J.CHEM.SOC.PERKIN-1,1851(1994)
Solvent Deuterium oxide:Dioxane