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1,1'-O-(1,16-HEXADECAMETHYLENE)-BIS-[2-O-[(R)-3,7-DIMETHYLOCTYL]-3-O-(BETA-D-GALACTOFURANOSYL)-SN-GLYCEROL]
SpectraBase Compound ID AG8Wul17WPj
InChI InChI=1S/C54H104O16/c1-39-21-19-23-41(3)27-31-65-43(37-67-53-49(61)47(59)51(69-53)45(57)33-55)35-63-29-17-15-13-11-9-7-5-6-8-10-12-14-16-18-30-64-36-44(66-32-28-42(4)24-20-22-40(2)26-25-39)38-68-54-50(62)48(60)52(70-54)46(58)34-56/h39-62H,5-38H2,1-4H3/t39?,40?,41-,42+,43-,44-,45-,46+,47+,48-,49+,50-,51-,52+,53?,54-/m1/s1
InChIKey XQNVQNIZRJVKON-WPVCSOGASA-N
Mol Weight 1009.4 g/mol
Molecular Formula C54H104O16
Exact Mass 1008.732437 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6gM7KLKyokH
Name 1,1'-O-(1,16-HEXADECAMETHYLENE)-BIS-[2-O-[(R)-3,7-DIMETHYLOCTYL]-3-O-(BETA-D-GALACTOFURANOSYL)-SN-GLYCEROL]
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C54H104O16
InChI InChI=1S/C54H104O16/c1-39-21-19-23-41(3)27-31-65-43(37-67-53-49(61)47(59)51(69-53)45(57)33-55)35-63-29-17-15-13-11-9-7-5-6-8-10-12-14-16-18-30-64-36-44(66-32-28-42(4)24-20-22-40(2)26-25-39)38-68-54-50(62)48(60)52(70-54)46(58)34-56/h39-62H,5-38H2,1-4H3/t39?,40?,41-,42+,43-,44-,45-,46+,47+,48-,49+,50-,51-,52+,53?,54-/m1/s1
InChIKey XQNVQNIZRJVKON-WPVCSOGASA-N
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 1009.410 g/mol
Sample ID 58637
Solvent C5D5N:D2O