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SODIUM-(METHYL-BETA-D-GLUCOPYRANOSID-6-YL)-1-O-(2-ACETAMIDO-2-DEOXY-3-O-METHYL-BETA-D-GALACTOPYRANOSYL)-D-RIBITYL-PHOSPHATE
SpectraBase Compound ID 12qjFzArJ5K
InChI InChI=1S/C42H58NO18P.Na/c1-26(45)43-34-40(52-2)36(47)30(19-44)60-41(34)57-23-32(54-20-27-13-7-4-8-14-27)39(56-22-29-17-11-6-12-18-29)33(55-21-28-15-9-5-10-16-28)25-59-62(50,51)58-24-31-35(46)37(48)38(49)42(53-3)61-31;/h4-18,30-42,44,46-49H,19-25H2,1-3H3,(H,43,45)(H,50,51);/q;+1/p-1/t30-,31-,32?,33?,34-,35-,36+,37+,38-,39?,40-,41-,42-;/m0./s1
InChIKey ROAMJMPMWVDGOU-ZNAMUMBSSA-M
Mol Weight 917.9 g/mol
Molecular Formula C42H57NNaO18P
Exact Mass 917.321095 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K9pm6mC3urF
Name SODIUM-(METHYL-BETA-D-GLUCOPYRANOSID-6-YL)-1-O-(2-ACETAMIDO-2-DEOXY-3-O-METHYL-BETA-D-GALACTOPYRANOSYL)-L-RIBITYL-PHOSPHATE
Compound Number 24
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H57NNaO18P
InChI InChI=1S/C42H58NO18P.Na/c1-26(45)43-34-40(52-2)36(47)30(19-44)60-41(34)57-23-32(54-20-27-13-7-4-8-14-27)39(56-22-29-17-11-6-12-18-29)33(55-21-28-15-9-5-10-16-28)25-59-62(50,51)58-24-31-35(46)37(48)38(49)42(53-3)61-31;/h4-18,30-42,44,46-49H,19-25H2,1-3H3,(H,43,45)(H,50,51);/q;+1/p-1/t30-,31-,32?,33?,34-,35-,36+,37+,38-,39?,40-,41-,42-;/m0./s1
InChIKey ROAMJMPMWVDGOU-ZNAMUMBSSA-M
Literature Reference Author H.QIN,T.B.GRINDLEY
Literature Reference Citation CAN.J.CHEM.,77,481(1999)
Literature Reference DOI 10.1139/cjc-77-4-481
Solvent D2O
Source File Reference UWSI5110