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PHENYL-2-O-BENZOYL-4,6-O-BENZYLIDENE-3-O-2,3,4,6-TETRA-O-ACETYL-alpha-1-THIO-alpha-D-MANNOPYRANOSIDE

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PHENYL-2-O-BENZOYL-4,6-O-BENZYLIDENE-3-O-2,3,4,6-TETRA-O-ACETYL-alpha-1-THIO-alpha-D-MANNOPYRANOSIDE
SpectraBase Compound ID BheYDXHMGTy
InChI InChI=1S/C40H42O15S/c1-22(41)46-20-29-31(48-23(2)42)33(49-24(3)43)35(50-25(4)44)39(51-29)55-34-32-30(21-47-38(54-32)27-16-10-6-11-17-27)52-40(56-28-18-12-7-13-19-28)36(34)53-37(45)26-14-8-5-9-15-26/h5-19,29-36,38-40H,20-21H2,1-4H3/t29-,30-,31-,32-,33+,34+,35+,36+,38-,39-,40-/m1/s1
InChIKey XBQJMWKFEDDNKO-NUUBAYFLSA-N
Mol Weight 794.8 g/mol
Molecular Formula C40H42O15S
Exact Mass 794.224442 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6fNh1UVPMYS
Name PHENYL-2-O-BENZOYL-4,6-O-BENZYLIDENE-3-O-2,3,4,6-TETRA-O-ACETYL-alpha-1-THIO-alpha-D-MANNOPYRANOSIDE
Compound Number 22
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C40H42O15S/c1-22(41)46-20-29-31(48-23(2)42)33(49-24(3)43)35(50-25(4)44)39(51-29)55-34-32-30(21-47-38(54-32)27-16-10-6-11-17-27)52-40(56-28-18-12-7-13-19-28)36(34)53-37(45)26-14-8-5-9-15-26/h5-19,29-36,38-40H,20-21H2,1-4H3/t29-,30-,31-,32-,33+,34+,35+,36+,38-,39-,40-/m1/s1
InChIKey XBQJMWKFEDDNKO-NUUBAYFLSA-N
Literature Reference H.FRANZYK,M.MELDAL,H.PAULSEN,K.BOCK J.CHEM.SOC.PERKIN-1,2883(1995)
Solvent Chloroform-d