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PHENYL-(3,4,6-TRI-O-ACETYL-2-DEOXY-2-TRICHLOROACETAMIDO-BETA-D-GLUCOPYRANOSYL)-(1->2)-3,4-DI-O-BENZYL-1-THIO-ALPHA-L-RHAMNOPYRANOSIDE
SpectraBase Compound ID 4Zvnh8n63Um
InChI InChI=1S/C40H44Cl3NO12S/c1-23-32(50-20-27-14-8-5-9-15-27)35(51-21-28-16-10-6-11-17-28)36(38(52-23)57-29-18-12-7-13-19-29)56-37-31(44-39(48)40(41,42)43)34(54-26(4)47)33(53-25(3)46)30(55-37)22-49-24(2)45/h5-19,23,30-38H,20-22H2,1-4H3,(H,44,48)/t23-,30-,31-,32-,33-,34-,35+,36+,37+,38-/m0/s1
InChIKey LPEQAGOZVIDZNL-IJBYNXRXSA-N
Mol Weight 869.2 g/mol
Molecular Formula C40H44Cl3NO12S
Exact Mass 867.16498 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2xwTRt9DspQ
Name PHENYL-(3,4,6-TRI-O-ACETYL-2-DEOXY-2-TRICHLOROACETAMIDO-BETA-D-GLUCOPYRANOSYL)-(1->2)-3,4-DI-O-BENZYL-1-THIO-ALPHA-L-RHAMNOPYRANOSIDE
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C40H44Cl3NO12S
InChI InChI=1S/C40H44Cl3NO12S/c1-23-32(50-20-27-14-8-5-9-15-27)35(51-21-28-16-10-6-11-17-28)36(38(52-23)57-29-18-12-7-13-19-29)56-37-31(44-39(48)40(41,42)43)34(54-26(4)47)33(53-25(3)46)30(55-37)22-49-24(2)45/h5-19,23,30-38H,20-22H2,1-4H3,(H,44,48)/t23-,30-,31-,32-,33-,34-,35+,36+,37+,38-/m0/s1
InChIKey LPEQAGOZVIDZNL-IJBYNXRXSA-N
Literature Reference Author F.BELOT,K.WRIGHT,C.COSTACHEL,A.PHALIPON,L.A.MULARD
Literature Reference Citation J.ORG.CHEM.,69,1060(2004)
Literature Reference DOI 10.1021/jo035125b
Molecular Weight 869.208 g/mol
Solvent CDCl3
Source File Reference UWVN21597