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DEC-9-ENYL-BETA-D-GALACTOPYRANOSYL-(1->4)-ALPHA-D-MANNOPYRANOSYLPHOSPHATE-TRIETHYLAMMONIUM-SALT
SpectraBase Compound ID CtqrjMVRWPz
InChI InChI=1S/C22H41O14P.C6H15N/c1-2-3-4-5-6-7-8-9-10-32-37(30,31)36-22-19(29)17(27)20(14(12-24)34-22)35-21-18(28)16(26)15(25)13(11-23)33-21;1-4-7(5-2)6-3/h2,13-29H,1,3-12H2,(H,30,31);4-6H2,1-3H3/t13-,14-,15+,16+,17-,18-,19+,20-,21+,22-;/m1./s1
InChIKey JITBWEXUNUVAKV-VVBGVTPXSA-N
Mol Weight 661.7 g/mol
Molecular Formula C28H56NO14P
Exact Mass 661.343842 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Al8al3OxRI2
Name DEC-9-ENYL-BETA-D-GALACTOPYRANOSYL-(1->4)-ALPHA-D-MANNOPYRANOSYLPHOSPHATE-TRIETHYLAMMONIUM-SALT
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H56NO14P
InChI InChI=1S/C22H41O14P.C6H15N/c1-2-3-4-5-6-7-8-9-10-32-37(30,31)36-22-19(29)17(27)20(14(12-24)34-22)35-21-18(28)16(26)15(25)13(11-23)33-21;1-4-7(5-2)6-3/h2,13-29H,1,3-12H2,(H,30,31);4-6H2,1-3H3/t13-,14-,15+,16+,17-,18-,19+,20-,21+,22-;/m1./s1
InChIKey JITBWEXUNUVAKV-VVBGVTPXSA-N
Literature Reference Author A.V.NIKOLAEV,T.J.RUTHERFORD,M.A.J.FERGUSON,J.S.BRIMACOMBE
Literature Reference Citation J.CHEM.SOC.PERKIN-1,1559(1996)
Literature Reference DOI 10.1039/p19960001559
Molecular Weight 661.725 g/mol
Solvent D2O