3-O-Acetyl-6-O-benzoyl-1,2-O-(1-methylethylidene)-5-O-[(4-methylphenyl)sulfonyl]hexofuranose

SpectraBase Compound ID	C28sT6aQDXz
InChI	InChI=1S/C25H28O10S/c1-15-10-12-18(13-11-15)36(28,29)35-19(14-30-23(27)17-8-6-5-7-9-17)20-21(31-16(2)26)22-24(32-20)34-25(3,4)33-22/h5-13,19-22,24H,14H2,1-4H3
InChIKey	FWCLUCLZUHIZSN-UHFFFAOYSA-N Google Search
Mol Weight	520.55 g/mol
Molecular Formula	C25H28O10S
Exact Mass	520.140318 g/mol

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SpectraBase Spectrum ID	HWKFtuMpayL
Name	3-O-Acetyl-6-O-benzoyl-1,2-O-(1-methylethylidene)-5-O-[(4-methylphenyl)sulfonyl]hexofuranose
Alternate Name(s)	3-O-Acetyl-6-O-benzoyl-1,2-O-isopropylidene-5-O-toluenesulfonyl-.alpha.- benzoic acid [2-(6-acetyloxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)-2-(4-methylphenyl)sulfonyloxyethyl] ester [2-(6-acetyloxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)-2-(4-methylphenyl)sulfonyloxyethyl] benzoate [2-(6-acetoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)-2-(p-tolylsulfonyloxy)ethyl] benzoate [2-(6-acetyloxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)-2-(4-methylphenyl)sulfonyloxy-ethyl] benzoate
CAS Registry Number	2592-45-2
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C25H28O10S
InChI	InChI=1S/C25H28O10S/c1-15-10-12-18(13-11-15)36(28,29)35-19(14-30-23(27)17-8-6-5-7-9-17)20-21(31-16(2)26)22-24(32-20)34-25(3,4)33-22/h5-13,19-22,24H,14H2,1-4H3
InChIKey	FWCLUCLZUHIZSN-UHFFFAOYSA-N
Molecular Weight	520.549 g/mol
SMILES	c1(ccccc1)C(OCC(OS(c1ccc(cc1)C)(=O)=O)C1OC2C(C1OC(=O)C)OC(O2)(C)C)=O
SPLASH	splash10-0abc-8920000000-096abc1462e87d1b5b2d
Source of Spectrum	NP-15-8319-0
Wiley ID	1112899