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3-Oxatricyclo[3.2.2.0(2,4)]nonane-6,7-dimethanol, bis(4-methylbenzenesulfonate), (1.alpha.,2.beta.,4.beta.,5.alpha.,6.beta.,7.beta.)-
SpectraBase Compound ID D32ENjBjRBm
InChI InChI=1S/C24H28O7S2/c1-15-3-7-17(8-4-15)32(25,26)29-13-21-19-11-12-20(24-23(19)31-24)22(21)14-30-33(27,28)18-9-5-16(2)6-10-18/h3-10,19-24H,11-14H2,1-2H3/t19-,20+,21-,22+,23-,24+
InChIKey JTRYCBOMPGLBTG-SSIAJPCRSA-N
Mol Weight 492.6 g/mol
Molecular Formula C24H28O7S2
Exact Mass 492.127646 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5zKv7Lgx6KB
Name 3-Oxatricyclo[3.2.2.0(2,4)]nonane-6,7-dimethanol, bis(4-methylbenzenesulfonate), (1.alpha.,2.beta.,4.beta.,5.alpha.,6.beta.,7.beta.)-
Alternate Name(s) 5exo,6exo-epoxybicyclo[2.2.2]octane-2endo,3endo-dimethyl bis(p-toluenesulfonate) [(1S,2S,4R,5R,6S,7R)-7-({[(4-methylphenyl)sulfonyl]oxy}methyl)-3-oxatricyclo[3.2.2.0(2,4)]non-6-yl]methyl 4-methylbenzenesulfonate
CAS Registry Number 81825-48-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H28O7S2
InChI InChI=1S/C24H28O7S2/c1-15-3-7-17(8-4-15)32(25,26)29-13-21-19-11-12-20(24-23(19)31-24)22(21)14-30-33(27,28)18-9-5-16(2)6-10-18/h3-10,19-24H,11-14H2,1-2H3/t19-,20+,21-,22+,23-,24+
InChIKey JTRYCBOMPGLBTG-SSIAJPCRSA-N
Molecular Weight 492.601 g/mol
SMILES [C@@]12([C@]([C@]3([H])CC[C@]2([C@@]([C@@]3(COS(c2ccc(cc2)C)(=O)=O)[H])(COS(c2ccc(cc2)C)(=O)=O)[H])[H])([H])O1)[H]
SPLASH splash10-0a4l-2910000000-cc22381928ca5bb436f7
Source of Spectrum H-65-184-0
Wiley ID 1397509