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METHYL 6-O-(2,3,4,6-TETRA-O-BENZOYL-ALPHA-D-GLUCOPYRANOSYLPHOSPHORYL)-2,3,4-TRI-O-ACETYL-ALPHA-D-MANNOPYRANOSIDE, TRIETHYLAMMONIUM SALT
SpectraBase Compound ID 9J9qfgrkegg
InChI InChI=1S/C47H47O21P.C6H15N/c1-27(48)60-36-35(63-46(57-4)40(62-29(3)50)38(36)61-28(2)49)26-59-69(55,56)68-47-41(67-45(54)33-23-15-8-16-24-33)39(66-44(53)32-21-13-7-14-22-32)37(65-43(52)31-19-11-6-12-20-31)34(64-47)25-58-42(51)30-17-9-5-10-18-30;1-4-7(5-2)6-3/h5-24,34-41,46-47H,25-26H2,1-4H3,(H,55,56);4-6H2,1-3H3/t34-,35-,36-,37-,38+,39+,40+,41-,46+,47-;/m1./s1
InChIKey VLZZGWWRKZELMS-YHGRYSJSSA-N
Mol Weight 1080.0 g/mol
Molecular Formula C53H62NO21P
Exact Mass 1079.355195 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DWfAnqOHY8u
Name METHYL 2,3,4-TRI-O-ACETYL-6-O-(2,3,4,6-TETRA-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 C53H62NO21P
InChI InChI=1S/C47H47O21P.C6H15N/c1-27(48)60-36-35(63-46(57-4)40(62-29(3)50)38(36)61-28(2)49)26-59-69(55,56)68-47-41(67-45(54)33-23-15-8-16-24-33)39(66-44(53)32-21-13-7-14-22-32)37(65-43(52)31-19-11-6-12-20-31)34(64-47)25-58-42(51)30-17-9-5-10-18-30;1-4-7(5-2)6-3/h5-24,34-41,46-47H,25-26H2,1-4H3,(H,55,56);4-6H2,1-3H3/t34-,35-,36-,37-,38+,39+,40+,41-,46+,47-;/m1./s1
InChIKey VLZZGWWRKZELMS-YHGRYSJSSA-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