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3-O-(2,3,4,6-TETRA-O-ACETYL-BETA-D-GALACTOPYRANOSYL)-N-(11-ALLYLOXYCARBONYL-UNDECANOYL)-L-SERINE-TETRADECANAMIDE
SpectraBase Compound ID LJU8cXGVNhC
InChI InChI=1S/C46H78N2O14/c1-7-9-10-11-12-13-14-15-18-21-24-27-30-47-45(55)38(48-40(53)28-25-22-19-16-17-20-23-26-29-41(54)56-31-8-2)32-58-46-44(61-37(6)52)43(60-36(5)51)42(59-35(4)50)39(62-46)33-57-34(3)49/h8,38-39,42-44,46H,2,7,9-33H2,1,3-6H3,(H,47,55)(H,48,53)/t38?,39-,42+,43+,44-,46-/m1/s1
InChIKey LDYDSAFVCAWVMK-VWGFZAMBSA-N
Mol Weight 883.1 g/mol
Molecular Formula C46H78N2O14
Exact Mass 882.545305 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3vTm0diLvl3
Name 3-O-(2,3,4,6-TETRA-O-ACETYL-BETA-D-GALACTOPYRANOSYL)-N-(11-ALLYLOXYCARBONYL-UNDECANOYL)-L-SERINE-TETRADECANAMIDE
Compound Number 10
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C46H78N2O14
InChI InChI=1S/C46H78N2O14/c1-7-9-10-11-12-13-14-15-18-21-24-27-30-47-45(55)38(48-40(53)28-25-22-19-16-17-20-23-26-29-41(54)56-31-8-2)32-58-46-44(61-37(6)52)43(60-36(5)51)42(59-35(4)50)39(62-46)33-57-34(3)49/h8,38-39,42-44,46H,2,7,9-33H2,1,3-6H3,(H,47,55)(H,48,53)/t38?,39-,42+,43+,44-,46-/m1/s1
InChIKey LDYDSAFVCAWVMK-VWGFZAMBSA-N
Literature Reference Author B.FAROUX-CORLAY,J.GREINER,R.TERREUX,D.CABROL-BASS,A.M.AUBERT IN,P.VIERLING,J.FANT
Literature Reference Citation J.MED.CHEM.,44,2188(2001)
Literature Reference DOI 10.1021/jm0011124
Molecular Weight 883.130 g/mol
Sample ID 44577
Solvent CDCl3