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3,3'-O-(1,16-HEXAMETHYLENE)-2,2'-DI-O-[(R)-3,7-DIMETHYLOCTYL]-1-O-(BETA-D-GALACTOFURANOSYL)-SN-DIGLYCEROL-1'-O-PHOSPHATE-SODIUM-SALT
SpectraBase Compound ID 6Ga6Tiw2umY
InChI InChI=1S/C48H95O14P.2Na/c1-38-21-19-23-40(3)27-31-58-42(36-60-48-46(52)45(51)47(62-48)44(50)33-49)34-56-29-17-15-13-11-9-7-5-6-8-10-12-14-16-18-30-57-35-43(37-61-63(53,54)55)59-32-28-41(4)24-20-22-39(2)26-25-38;;/h38-52H,5-37H2,1-4H3,(H2,53,54,55);;/q;2*+1/p-2/t38?,39?,40-,41-,42+,43-,44+,45-,46-,47+,48-;;/m1../s1
InChIKey IWXVAHBKXKLCAK-FAGRETEPSA-L
Mol Weight 971.21130056 g/mol
Molecular Formula C48H93Na2O14P
Exact Mass 970.609833 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IeP6hhZRkUn
Name 3,3'-O-(1,16-HEXAMETHYLENE)-2,2'-DI-O-[(R)-3,7-DIMETHYLOCTYL]-1-O-(BETA-D-GALACTOFURANOSYL)-SN-DIGLYCEROL-1'-O-PHOSPHATE-SODIUM-SALT
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C48H93Na2O14P
InChI InChI=1S/C48H95O14P.2Na/c1-38-21-19-23-40(3)27-31-58-42(36-60-48-46(52)45(51)47(62-48)44(50)33-49)34-56-29-17-15-13-11-9-7-5-6-8-10-12-14-16-18-30-57-35-43(37-61-63(53,54)55)59-32-28-41(4)24-20-22-39(2)26-25-38;;/h38-52H,5-37H2,1-4H3,(H2,53,54,55);;/q;2*+1/p-2/t38?,39?,40-,41-,42+,43-,44+,45-,46-,47+,48-;;/m1../s1
InChIKey IWXVAHBKXKLCAK-FAGRETEPSA-L
Literature Reference Author G.LECOLLINET,R.AUZELY-VELTY,M.DANEL,T.BENVEGNU,G.MACKENZIE,J .W.GOODBY,D.PLUSQUEL
Literature Reference Citation J.ORG.CHEM.,64,3139(1999)
Literature Reference DOI 10.1021/jo9822028
Molecular Weight 971.211 g/mol
Sample ID 58644
Solvent CD3OD