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3-Flavanol, 4-ethoxy-3',4',7,8-tetramethoxy-, p-toluenesulfonate
SpectraBase Compound ID 7zRKgldPOQQ
InChI InChI=1S/C28H32O9S/c1-7-35-25-20-13-15-22(32-4)27(34-6)26(20)36-24(18-10-14-21(31-3)23(16-18)33-5)28(25)37-38(29,30)19-11-8-17(2)9-12-19/h8-16,24-25,28H,7H2,1-6H3
InChIKey AXWGHAMHYXGWMN-UHFFFAOYSA-N
Mol Weight 544.6 g/mol
Molecular Formula C28H32O9S
Exact Mass 544.176704 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CS4IKaNmP2U
Name 3-Flavanol, 4-ethoxy-3',4',7,8-tetramethoxy-, p-toluenesulfonate
CAS Registry Number 22425-64-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H32O9S
InChI InChI=1S/C28H32O9S/c1-7-35-25-20-13-15-22(32-4)27(34-6)26(20)36-24(18-10-14-21(31-3)23(16-18)33-5)28(25)37-38(29,30)19-11-8-17(2)9-12-19/h8-16,24-25,28H,7H2,1-6H3
InChIKey AXWGHAMHYXGWMN-UHFFFAOYSA-N
Molecular Weight 544.615 g/mol
SMILES C1(OS(c2ccc(cc2)C)(=O)=O)C(Oc2c(C1OCC)ccc(OC)c2OC)c1cc(OC)c(cc1)OC
SPLASH splash10-03e9-0971000000-010828ad08ccbb4b5b00
Source of Spectrum B-21-3043-3
Synonyms 2-(3,4-dimethoxyphenyl)-4-ethoxy-7,8-dimethoxy-3,4-dihydro-2H-chromen-3-yl 4-methylbenzenesulfonate O-ethylisomelacacidin tetramethyl ether 3-toluene-p-sulphonate
Wiley ID 64241