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2,3,4,6-TETRA-O-(3-BENZOYLPROPIONYL)-ALPHA-D-MANNOPYRANOSYL-H-PHOSPHONATE, TRIETHYLAMMONIUM SALT
SpectraBase Compound ID 2MJNHC5WElH
InChI InChI=1S/C46H45O16P.C6H15N/c47-34(30-13-5-1-6-14-30)21-25-39(51)57-29-38-43(59-40(52)26-22-35(48)31-15-7-2-8-16-31)44(60-41(53)27-23-36(49)32-17-9-3-10-18-32)45(46(58-38)62-63(55)56)61-42(54)28-24-37(50)33-19-11-4-12-20-33;1-4-7(5-2)6-3/h1-20,38,43-46,63H,21-29H2,(H,55,56);4-6H2,1-3H3/t38-,43-,44+,45+,46-;/m1./s1
InChIKey GAEZJJAAJQLPDY-LAHCNFRGSA-N
Mol Weight 986.0 g/mol
Molecular Formula C52H60NO16P
Exact Mass 985.364972 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4srP3nMXVZG
Name 2,3,4,6-TETRA-O-(3-BENZOYLPROPIONYL)-ALPHA-D-MANNOPYRANOSYL-H-PHOSPHONATE, TRIETHYLAMMONIUM SALT
Comments 28
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C52H60NO16P
InChI InChI=1S/C46H45O16P.C6H15N/c47-34(30-13-5-1-6-14-30)21-25-39(51)57-29-38-43(59-40(52)26-22-35(48)31-15-7-2-8-16-31)44(60-41(53)27-23-36(49)32-17-9-3-10-18-32)45(46(58-38)62-63(55)56)61-42(54)28-24-37(50)33-19-11-4-12-20-33;1-4-7(5-2)6-3/h1-20,38,43-46,63H,21-29H2,(H,55,56);4-6H2,1-3H3/t38-,43-,44+,45+,46-;/m1./s1
InChIKey GAEZJJAAJQLPDY-LAHCNFRGSA-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