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METHYL 6-O-DIMETHOXYTRITYL-DI(2,3,4-TRI-O-BENZOYL-ALPHA-D-MANNOPYRANOSYLPHOSPHATE)-2,3,4-TRI-O-ACETYL-ALPHA-D-MANNOPYRANOSIDE,BIS(TRIETHYLAMMONIUM) SALT
SpectraBase Compound ID LTQPAvIvTo8
InChI InChI=1S/C88H84O33P2.2C6H15N/c1-53(89)108-70-68(111-85(104-6)76(110-55(3)91)73(70)109-54(2)90)51-106-122(98,99)121-87-78(119-84(97)61-38-24-12-25-39-61)75(117-82(95)59-34-20-10-21-35-59)72(115-80(93)57-30-16-8-17-31-57)69(113-87)52-107-123(100,101)120-86-77(118-83(96)60-36-22-11-23-37-60)74(116-81(94)58-32-18-9-19-33-58)71(114-79(92)56-28-14-7-15-29-56)67(112-86)50-105-88(62-40-26-13-27-41-62,63-42-46-65(102-4)47-43-63)64-44-48-66(103-5)49-45-64;2*1-4-7(5-2)6-3/h7-49,67-78,85-87H,50-52H2,1-6H3,(H,98,99)(H,100,101);2*4-6H2,1-3H3/t67-,68-,69-,70-,71-,72-,73+,74+,75+,76+,77+,78+,85+,86-,87-;;/m1../s1
InChIKey PGMPVMHFAAJGHY-ARSVCARNSA-N
Mol Weight 1933.94 g/mol
Molecular Formula C100H114N2O33P2
Exact Mass 1932.677908 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID zOaqUeDF6o
Name METHYL 6-O-DIMETHOXYTRITYL-DI(2,3,4-TRI-O-BENZOYL-ALPHA-D-MANNOPYRANOSYLPHOSPHATE)-2,3,4-TRI-O-ACETYL-ALPHA-D-MANNOPYRANOSIDE,BIS(TRIETHYLAMMONIUM) SALT
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C100H114N2O33P2
InChI InChI=1S/C88H84O33P2.2C6H15N/c1-53(89)108-70-68(111-85(104-6)76(110-55(3)91)73(70)109-54(2)90)51-106-122(98,99)121-87-78(119-84(97)61-38-24-12-25-39-61)75(117-82(95)59-34-20-10-21-35-59)72(115-80(93)57-30-16-8-17-31-57)69(113-87)52-107-123(100,101)120-86-77(118-83(96)60-36-22-11-23-37-60)74(116-81(94)58-32-18-9-19-33-58)71(114-79(92)56-28-14-7-15-29-56)67(112-86)50-105-88(62-40-26-13-27-41-62,63-42-46-65(102-4)47-43-63)64-44-48-66(103-5)49-45-64;2*1-4-7(5-2)6-3/h7-49,67-78,85-87H,50-52H2,1-6H3,(H,98,99)(H,100,101);2*4-6H2,1-3H3/t67-,68-,69-,70-,71-,72-,73+,74+,75+,76+,77+,78+,85+,86-,87-;;/m1../s1
InChIKey PGMPVMHFAAJGHY-ARSVCARNSA-N
Instrument Name Bruker AC-200
Literature Reference A.V.NIKOLAEV, I.A.IVANOVA, V.N.SHIBAEV (1990) Bioorganich.Khim.(Russ. Lang.):v.16, N12, 1696-1699.
NMR Standard not reported
Observed nucleus 31P
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3 chloroform-d