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.alpha.-D-Mannofuranose, 2,3-O-(1-methylethylidene)-, 1-benzoate 5,6-bis(4-methylbenzenesulfonate)
SpectraBase Compound ID J8YYBv7Ey3X
InChI InChI=1S/C30H32O11S2/c1-19-10-14-22(15-11-19)42(32,33)36-18-24(41-43(34,35)23-16-12-20(2)13-17-23)25-26-27(40-30(3,4)39-26)29(37-25)38-28(31)21-8-6-5-7-9-21/h5-17,24-27,29H,18H2,1-4H3/t24-,25-,26+,27+,29-/m1/s1
InChIKey SXZYZOMNTWKOKK-DMYSPCIHSA-N
Mol Weight 632.7 g/mol
Molecular Formula C30H32O11S2
Exact Mass 632.138604 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3aXCfCoyA2A
Name .alpha.-D-Mannofuranose, 2,3-O-(1-methylethylidene)-, 1-benzoate 5,6-bis(4-methylbenzenesulfonate)
Alternate Name(s) 1-O-benzoyl-2,3-O-(1-methylethylidene)-5,6-bis-O-[(4-methylphenyl)sulfonyl]-.alpha.-D-mannofuranose 1-O-benzyl-2,3-O-isopropylidene-5,6-di-O-p-toluolsulfonyl-.alpha.-D-mannofuranose Furo[3,4-d]-1,3-dioxole, .alpha.-D-mannofuranose deriv.
CAS Registry Number 73111-61-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H32O11S2
InChI InChI=1S/C30H32O11S2/c1-19-10-14-22(15-11-19)42(32,33)36-18-24(41-43(34,35)23-16-12-20(2)13-17-23)25-26-27(40-30(3,4)39-26)29(37-25)38-28(31)21-8-6-5-7-9-21/h5-17,24-27,29H,18H2,1-4H3/t24-,25-,26+,27+,29-/m1/s1
InChIKey SXZYZOMNTWKOKK-DMYSPCIHSA-N
Molecular Weight 632.695 g/mol
SMILES [C@@](OS(c1ccc(cc1)C)(=O)=O)([C@@]1([C@]2([C@](OC(O2)(C)C)([C@](O1)(OC(=O)c1ccccc1)[H])[H])[H])[H])(COS(c1ccc(cc1)C)(=O)=O)[H]
SPLASH splash10-0a4i-7900000000-b7c328b941bd45e7a4f4
Source of Spectrum H-62-2407-0
Wiley ID 1412179