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(4aR,7S,8aS)-toluene-4-sulfonic acid 2-phenyl-hexahydropyrano[3,2-d][1,3]dioxin-7-yl ester
SpectraBase Compound ID Cmf7rQJBgyD
InChI InChI=1S/C20H22O6S/c1-14-7-9-17(10-8-14)27(21,22)26-16-11-18-19(23-12-16)13-24-20(25-18)15-5-3-2-4-6-15/h2-10,16,18-20H,11-13H2,1H3/t16-,18-,19+,20?/m0/s1
InChIKey XKHHGLKVQIEAKW-DAABDDCCSA-N
Mol Weight 390.45 g/mol
Molecular Formula C20H22O6S
Exact Mass 390.11371 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7rdHbIdqDzn
Name (4aR,7S,8aS)-toluene-4-sulfonic acid 2-phenyl-hexahydropyrano[3,2-d][1,3]dioxin-7-yl ester
Appearance Colorless solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H22O6S
InChI InChI=1S/C20H22O6S/c1-14-7-9-17(10-8-14)27(21,22)26-16-11-18-19(23-12-16)13-24-20(25-18)15-5-3-2-4-6-15/h2-10,16,18-20H,11-13H2,1H3/t16-,18-,19+,20?/m0/s1
InChIKey XKHHGLKVQIEAKW-DAABDDCCSA-N
Ionization Type EI
Molecular Weight 390.450 g/mol
SMILES [C@]12(OC[C@](C[C@@]2(OC(OC1)c1ccccc1)[H])(OS(c1ccc(cc1)C)(=O)=O)[H])[H]
SPLASH splash10-066u-9400000000-060f559a044ffde4e2bc
Source of Spectrum US20110070192A1
Thin-Layer Chromatography Rf = 0.61 (50% EtOAc-hexane)
Wiley ID 1861722