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METHYL 6-O-(2-DEOXY-2-ACETAMIDO-3,4,6-TRI-O-BENZOYL-ALPHA-D-GLUCOPYRANOSYLPHOSPHORYL)-2,3,4-TRI-O-ACETYL-ALPHA-D-MANNOPYRANOSIDE,TRIETHYLAMMONIUM SALT
SpectraBase Compound ID JTOxA2BSDP
InChI InChI=1S/C42H46NO20P.C6H15N/c1-23(44)43-32-35(62-40(50)29-19-13-8-14-20-29)33(61-39(49)28-17-11-7-12-18-28)30(21-54-38(48)27-15-9-6-10-16-27)59-41(32)63-64(51,52)55-22-31-34(56-24(2)45)36(57-25(3)46)37(58-26(4)47)42(53-5)60-31;1-4-7(5-2)6-3/h6-20,30-37,41-42H,21-22H2,1-5H3,(H,43,44)(H,51,52);4-6H2,1-3H3/t30-,31-,32-,33-,34-,35-,36+,37+,41-,42+;/m1./s1
InChIKey WBJPRXASAPXZGQ-KICLRJQVSA-N
Mol Weight 1017.0 g/mol
Molecular Formula C48H61N2O20P
Exact Mass 1016.355529 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DZuK2cYcVoQ
Name METHYL 2,3,4-TRI-O-ACETYL-6-O-(2-ACETAMIDO-2-DEOXY-3,4,6-TRI-O-BENZOYL-ALPHA-D-GLUCOPYRANOSYLPHOSPHONO)-ALPHA-D-MANNOPYRANOSIDE, TRIETHYLAMMONIUM SALT
Comments , ;VXR-400 (VARIAN)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C48H61N2O20P
InChI InChI=1S/C42H46NO20P.C6H15N/c1-23(44)43-32-35(62-40(50)29-19-13-8-14-20-29)33(61-39(49)28-17-11-7-12-18-28)30(21-54-38(48)27-15-9-6-10-16-27)59-41(32)63-64(51,52)55-22-31-34(56-24(2)45)36(57-25(3)46)37(58-26(4)47)42(53-5)60-31;1-4-7(5-2)6-3/h6-20,30-37,41-42H,21-22H2,1-5H3,(H,43,44)(H,51,52);4-6H2,1-3H3/t30-,31-,32-,33-,34-,35-,36+,37+,41-,42+;/m1./s1
InChIKey WBJPRXASAPXZGQ-KICLRJQVSA-N
Instrument Name SEE COMMENT
Literature Reference G.I.ELISEEVA, I.A.IVANOVA, A.V.NIKOLAEV, V.I.SHIBAEV (1991)Bioorganich.Khim.(Russ. Lang.): v.17, N10, 1401-1411.
NMR Standard not reported
Observed nucleus 31P
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3 chloroform-d