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3',4',5,7-TETRA-O-METHYL-8-BROMO-CATECHIN
SpectraBase Compound ID G5Q8ktQZX4R
InChI InChI=1S/C19H21BrO6/c1-22-13-6-5-10(7-15(13)24-3)18-12(21)8-11-14(23-2)9-16(25-4)17(20)19(11)26-18/h5-7,9,12,18,21H,8H2,1-4H3/t12-,18+/m0/s1
InChIKey ANGYUSBFVYQSKF-KPZWWZAWSA-N
Mol Weight 425.28 g/mol
Molecular Formula C19H21BrO6
Exact Mass 424.052151 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 48dB5eyC5Do
Name (2R,3S)-8-Bromo-5,7,3',4'-tetra-O-methylcatechin
Alternate Name(s) 2H-1-Benzopyran-3-ol, 8-bromo-2-(3,4-dimethoxyphenyl)-3,4-dihydro-5,7-dimethoxy-, (2R-trans)- (2R,3S)-8-bromo-2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3,4-dihydro-2H-chromen-3-ol 3-Flavanol, 8-bromo-3',4',5,7-tetramethoxy-, (2R,3S)- 8-Bromo-3',4',5,7-tetra-O-methyl-(+)-Catechin 8-Bromo-5,7,3',4'-tetra-O-methylcatechin
CAS Registry Number 23671-72-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H21BrO6
InChI InChI=1S/C19H21BrO6/c1-22-13-6-5-10(7-15(13)24-3)18-12(21)8-11-14(23-2)9-16(25-4)17(20)19(11)26-18/h5-7,9,12,18,21H,8H2,1-4H3/t12-,18+/m0/s1
InChIKey ANGYUSBFVYQSKF-KPZWWZAWSA-N
Molecular Weight 425.275 g/mol
SMILES O[C@@]1([C@](Oc2c(C1)c(OC)cc(c2Br)OC)(c1cc(OC)c(cc1)OC)[H])[H]
SPLASH splash10-0f7k-0950300000-b5b3f1036964c8e1b2ff
Source of Spectrum KC-1982-975-0
Wiley ID 1379146