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PHENYL-2,3-DI-O-BENZOYL-6-O-[2-(TERT.-BUTOXYCARBONYLAMINO)-2-PHENYLACETYL]-1-THIO-BETA-D-GALACTOPYRANOSIDE
SpectraBase Compound ID 1GsfGvl0tFN
InChI InChI=1S/2C39H39NO10S/c2*1-39(2,3)50-38(45)40-30(25-16-8-4-9-17-25)36(44)46-24-29-31(41)32(48-34(42)26-18-10-5-11-19-26)33(49-35(43)27-20-12-6-13-21-27)37(47-29)51-28-22-14-7-15-23-28/h2*4-23,29-33,37,41H,24H2,1-3H3,(H,40,45)/t2*29-,30?,31+,32+,33-,37+/m00/s1
InChIKey GLOAEXHTLYEJJE-ORNRHAIRSA-N
Mol Weight 1427.6 g/mol
Molecular Formula C78H78N2O20S2
Exact Mass 1426.458935 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1y0fg5IAf5I
Name PHENYL-2,3-DI-O-BENZOYL-6-O-[2-(TERT.-BUTOXYCARBONYLAMINO)-2-PHENYLACETYL]-1-THIO-BETA-D-GALACTOPYRANOSIDE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C78H78N2O20S2
InChI InChI=1S/2C39H39NO10S/c2*1-39(2,3)50-38(45)40-30(25-16-8-4-9-17-25)36(44)46-24-29-31(41)32(48-34(42)26-18-10-5-11-19-26)33(49-35(43)27-20-12-6-13-21-27)37(47-29)51-28-22-14-7-15-23-28/h2*4-23,29-33,37,41H,24H2,1-3H3,(H,40,45)/t2*29-,30?,31+,32+,33-,37+/m00/s1
InChIKey GLOAEXHTLYEJJE-ORNRHAIRSA-N
Literature Reference Author S.KOMBA,M.KITAOKA,T.KASUMI
Literature Reference Citation EUR.J.ORG.CHEM.,5313(2005)
Molecular Weight 1427.599 g/mol
Sample ID 42603
Solvent CDCl3