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(2S,2'RS)-4-O-( Tetrahydro-2'-pyranyl)-1,2-di-O-tosyl-1,2,4-butanetriol
SpectraBase Compound ID 4XFE6KRRCCf
InChI InChI=1S/C23H30O8S2/c1-18-6-10-21(11-7-18)32(24,25)30-17-20(14-16-29-23-5-3-4-15-28-23)31-33(26,27)22-12-8-19(2)9-13-22/h6-13,20,23H,3-5,14-17H2,1-2H3/t20-,23?/m0/s1
InChIKey VMVUNLVNOOIQLX-AJZOCDQUSA-N
Mol Weight 498.61 g/mol
Molecular Formula C23H30O8S2
Exact Mass 498.13821 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HYD4zHysCV5
Name (2S,2'RS)-4-O-( Tetrahydro-2'-pyranyl)-1,2-di-O-tosyl-1,2,4-butanetriol
Alternate Name(s) (1S)-1-({[(4-methylphenyl)sulfonyl]oxy}methyl)-3-(tetrahydro-2H-pyran-2-yloxy)propyl 4-methylbenzenesulfonate
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H30O8S2
InChI InChI=1S/C23H30O8S2/c1-18-6-10-21(11-7-18)32(24,25)30-17-20(14-16-29-23-5-3-4-15-28-23)31-33(26,27)22-12-8-19(2)9-13-22/h6-13,20,23H,3-5,14-17H2,1-2H3/t20-,23?/m0/s1
InChIKey VMVUNLVNOOIQLX-AJZOCDQUSA-N
Molecular Weight 498.605 g/mol
SMILES [C@](OS(c1ccc(cc1)C)(=O)=O)(COS(c1ccc(cc1)C)(=O)=O)(CCOC1OCCCC1)[H]
SPLASH splash10-0aor-0900600000-e6052182d49aa7bfcd64
Source of Spectrum K-128-772-12
Wiley ID 1398497