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METHYL-3-O-ACETYL-4,6-O-BENZYLIDENE-2-S-(2,3,4,6-TETRA-O-ACETYL-5-THIO-BETA-D-MANNOPYRANOSYL)-2-THIO-ALPHA-D-MANNOPYRANOSIDE

View entire compound with spectra: 1 NMR

METHYL-3-O-ACETYL-4,6-O-BENZYLIDENE-2-S-(2,3,4,6-TETRA-O-ACETYL-5-THIO-BETA-D-MANNOPYRANOSYL)-2-THIO-ALPHA-D-MANNOPYRANOSIDE
SpectraBase Compound ID 2JwPXJqCrSh
InChI InChI=1S/C30H38O14S2/c1-14(31)37-13-21-23(39-15(2)32)24(40-16(3)33)26(42-18(5)35)30(45-21)46-27-25(41-17(4)34)22-20(43-29(27)36-6)12-38-28(44-22)19-10-8-7-9-11-19/h7-11,20-30H,12-13H2,1-6H3/t20-,21+,22-,23+,24-,25+,26-,27+,28?,29+,30-/m1/s1
InChIKey NLXBBXOUEKOERY-RLLNIQONSA-N
Mol Weight 686.7 g/mol
Molecular Formula C30H38O14S2
Exact Mass 686.170298 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JbDq5FzlS73
Name METHYL-3-O-ACETYL-4,6-O-BENZYLIDENE-2-S-(2,3,4,6-TETRA-O-ACETYL-5-THIO-BETA-D-MANNOPYRANOSYL)-2-THIO-ALPHA-D-MANNOPYRANOSIDE
Compound Number 12
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H38O14S2
InChI InChI=1S/C30H38O14S2/c1-14(31)37-13-21-23(39-15(2)32)24(40-16(3)33)26(42-18(5)35)30(45-21)46-27-25(41-17(4)34)22-20(43-29(27)36-6)12-38-28(44-22)19-10-8-7-9-11-19/h7-11,20-30H,12-13H2,1-6H3/t20-,21+,22-,23+,24-,25+,26-,27+,28?,29+,30-/m1/s1
InChIKey NLXBBXOUEKOERY-RLLNIQONSA-N
Literature Reference Author B.D.JOHNSTON,B.M.PINTO
Literature Reference Citation CARBOHYDR.RES.,310,17(1998)
Literature Reference DOI 10.1016/S0008-6215(98)00162-1
Molecular Weight 686.743 g/mol
Solvent CDCl3
Source File Reference UWRU5212