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3-O-(2,3,4,6-TETRA-O-ACETYL-BETA-D-GALACTOPYRANOSYL)-N(ALPHA)-9-(FLUORENYLMETHOXYCARBONYL)-L-SERINE-TETRADECANAMIDE
SpectraBase Compound ID HRcBCSrvB2r
InChI InChI=1S/C46H64N2O13/c1-6-7-8-9-10-11-12-13-14-15-16-21-26-47-44(53)39(48-46(54)57-27-38-36-24-19-17-22-34(36)35-23-18-20-25-37(35)38)28-56-45-43(60-33(5)52)42(59-32(4)51)41(58-31(3)50)40(61-45)29-55-30(2)49/h17-20,22-25,38-43,45H,6-16,21,26-29H2,1-5H3,(H,47,53)(H,48,54)/t39?,40-,41+,42+,43-,45-/m0/s1
InChIKey NTDIHJQBPMMOSZ-BQQPEQFRSA-N
Mol Weight 853.0 g/mol
Molecular Formula C46H64N2O13
Exact Mass 852.44084 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID tyxShhcrBP
Name 3-O-(2,3,4,6-TETRA-O-ACETYL-BETA-D-GALACTOPYRANOSYL)-N(ALPHA)-9-(FLUORENYLMETHOXYCARBONYL)-L-SERINE-TETRADECANAMIDE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C46H64N2O13
InChI InChI=1S/C46H64N2O13/c1-6-7-8-9-10-11-12-13-14-15-16-21-26-47-44(53)39(48-46(54)57-27-38-36-24-19-17-22-34(36)35-23-18-20-25-37(35)38)28-56-45-43(60-33(5)52)42(59-32(4)51)41(58-31(3)50)40(61-45)29-55-30(2)49/h17-20,22-25,38-43,45H,6-16,21,26-29H2,1-5H3,(H,47,53)(H,48,54)/t39?,40-,41+,42+,43-,45-/m0/s1
InChIKey NTDIHJQBPMMOSZ-BQQPEQFRSA-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 853.020 g/mol
Sample ID 44575
Solvent CDCl3