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#5;N-TRICOSANOYL-1-O-[6-O-(2-TRIMETHYLAMMONIOETHOXY)-PHOSPHINATE-BETA-D-GALACTOPYRANOSYL-(1->6)-BETA-D-GALACTOPYRANOSYL]-(4E)-16-METHYLHEPTADECASPHINGEN
SpectraBase Compound ID 3QByFcRJh36
InChI InChI=1S/C58H113N2O16P/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-27-30-33-36-39-50(62)59-46(47(61)38-35-32-29-26-24-23-25-28-31-34-37-45(2)3)42-71-57-55(67)53(65)51(63)48(75-57)43-72-58-56(68)54(66)52(64)49(76-58)44-74-77(69,70)73-41-40-60(4,5)6/h35,38,45-49,51-58,61,63-68H,7-34,36-37,39-44H2,1-6H3,(H-,59,62,69,70)/b38-35+/t46-,47+,48+,49-,51-,52+,53-,54+,55+,56-,57+,58-/m1/s1
InChIKey MMVVOMOIKZFKIR-GCIOAMLLSA-N
Mol Weight 1125.5 g/mol
Molecular Formula C58H113N2O16P
Exact Mass 1124.782773 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4cU0yXWvLCj
Name #5;N-TRICOSANOYL-1-O-[6-O-(2-TRIMETHYLAMMONIOETHOXY)-PHOSPHINATE-BETA-D-GALACTOPYRANOSYL-(1->6)-BETA-D-GALACTOPYRANOSYL]-(4E)-16-METHYLHEPTADECASPHINGEN
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C58H113N2O16P
InChI InChI=1S/C58H113N2O16P/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-27-30-33-36-39-50(62)59-46(47(61)38-35-32-29-26-24-23-25-28-31-34-37-45(2)3)42-71-57-55(67)53(65)51(63)48(75-57)43-72-58-56(68)54(66)52(64)49(76-58)44-74-77(69,70)73-41-40-60(4,5)6/h35,38,45-49,51-58,61,63-68H,7-34,36-37,39-44H2,1-6H3,(H-,59,62,69,70)/b38-35+/t46-,47+,48+,49-,51-,52+,53-,54+,55+,56-,57+,58-/m1/s1
InChIKey MMVVOMOIKZFKIR-GCIOAMLLSA-N
Literature Reference Author R.TANAKA,K.MIYAHARA,N.NODA
Literature Reference Citation CHEM.PHARM.BULL.,44,1152(1996)
Literature Reference DOI 10.1248/cpb.44.1152
Molecular Weight 1125.513 g/mol
Solvent CDCl3:CD3OD
Source File Reference UWLU31325