John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=DKYbTFnXNgs SpectraBase Spectrum ID=7TGRbpehpdX

(accessed ).
#9;N-TETRACOSANOYL-1-O-[6-O-(2-TRIMETHYLAMMONIOETHOXY)-PHOSPHINATE-BETA-D-GALACTOPYRANOSYL-(1->6)-BETA-D-GALACTOPYRANOSYL]-(4E)-17-METHYLOCTADECASPHINGE
SpectraBase Compound ID DKYbTFnXNgs
InChI InChI=1S/C60H117N2O16P/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26-29-32-35-38-41-52(64)61-48(49(63)40-37-34-31-28-25-23-24-27-30-33-36-39-47(2)3)44-73-59-57(69)55(67)53(65)50(77-59)45-74-60-58(70)56(68)54(66)51(78-60)46-76-79(71,72)75-43-42-62(4,5)6/h37,40,47-51,53-60,63,65-70H,7-36,38-39,41-46H2,1-6H3,(H-,61,64,71,72)/b40-37+/t48-,49+,50+,51-,53-,54+,55-,56+,57+,58-,59+,60-/m1/s1
InChIKey JJRBXPCLZYTWSZ-NXRRJZMESA-N
Mol Weight 1153.6 g/mol
Molecular Formula C60H117N2O16P
Exact Mass 1152.814075 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7TGRbpehpdX
Name #9;N-TETRACOSANOYL-1-O-[6-O-(2-TRIMETHYLAMMONIOETHOXY)-PHOSPHINATE-BETA-D-GALACTOPYRANOSYL-(1->6)-BETA-D-GALACTOPYRANOSYL]-(4E)-17-METHYLOCTADECASPHINGE
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C60H117N2O16P
InChI InChI=1S/C60H117N2O16P/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26-29-32-35-38-41-52(64)61-48(49(63)40-37-34-31-28-25-23-24-27-30-33-36-39-47(2)3)44-73-59-57(69)55(67)53(65)50(77-59)45-74-60-58(70)56(68)54(66)51(78-60)46-76-79(71,72)75-43-42-62(4,5)6/h37,40,47-51,53-60,63,65-70H,7-36,38-39,41-46H2,1-6H3,(H-,61,64,71,72)/b40-37+/t48-,49+,50+,51-,53-,54+,55-,56+,57+,58-,59+,60-/m1/s1
InChIKey JJRBXPCLZYTWSZ-NXRRJZMESA-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 1153.567 g/mol
Solvent CDCl3:CD3OD
Source File Reference UWLU31329
SpectraBase Batch ID D69bqdm4F7S