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METHYL 2,3,4-TRI-O-ACETYL-6-O-(2,3,4,6-TETRA-O-(3-BENZOYLPROPIONYL)-ALPHA-D-MANNOPYRANOSYLPHOSPHO)-ALPHA-D-MANNOPYRANOSIDE, TRIETHYLAMMONIUM SALT
SpectraBase Compound ID 6XgIO4t0um3
InChI InChI=1S/C59H63O25P.C6H15N/c1-35(60)76-52-47(79-58(73-4)56(78-37(3)62)54(52)77-36(2)61)34-75-85(71,72)84-59-57(83-51(70)32-28-45(66)41-23-15-8-16-24-41)55(82-50(69)31-27-44(65)40-21-13-7-14-22-40)53(81-49(68)30-26-43(64)39-19-11-6-12-20-39)46(80-59)33-74-48(67)29-25-42(63)38-17-9-5-10-18-38;1-4-7(5-2)6-3/h5-24,46-47,52-59H,25-34H2,1-4H3,(H,71,72);4-6H2,1-3H3/t46-,47-,52-,53-,54+,55+,56+,57+,58+,59-;/m1./s1
InChIKey OGMHKZCTYHTTDD-MVRDOWSPSA-N
Mol Weight 1304.3 g/mol
Molecular Formula C65H78NO25P
Exact Mass 1303.460054 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8TskBgazSSR
Name METHYL 2,3,4-TRI-O-ACETYL-6-O-(2,3,4,6-TETRA-O-(3-BENZOYLPROPIONYL)-ALPHA-D-MANNOPYRANOSYLPHOSPHO)-ALPHA-D-MANNOPYRANOSIDE, TRIETHYLAMMONIUM SALT
Comments EGîþÞ
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C65H78NO25P
InChI InChI=1S/C59H63O25P.C6H15N/c1-35(60)76-52-47(79-58(73-4)56(78-37(3)62)54(52)77-36(2)61)34-75-85(71,72)84-59-57(83-51(70)32-28-45(66)41-23-15-8-16-24-41)55(82-50(69)31-27-44(65)40-21-13-7-14-22-40)53(81-49(68)30-26-43(64)39-19-11-6-12-20-39)46(80-59)33-74-48(67)29-25-42(63)38-17-9-5-10-18-38;1-4-7(5-2)6-3/h5-24,46-47,52-59H,25-34H2,1-4H3,(H,71,72);4-6H2,1-3H3/t46-,47-,52-,53-,54+,55+,56+,57+,58+,59-;/m1./s1
InChIKey OGMHKZCTYHTTDD-MVRDOWSPSA-N
Instrument Name Bruker WM-250
Literature Reference A.V.NIKOLAEV, I.A.IVANOVA, V.N.SHIBAEV, N.K.KOCHETKOV (1990)Bioorganich.Khim.(Russ. Lang.): v.16, N8, 1105-1117.
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3