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2H-1-Benzopyran-3-ol, 6-bromo-2-(3,4-dimethoxyphenyl)-3,4-dihydro-5,7-dimethoxy-, (2R-trans)-
SpectraBase Compound ID KwQtuHNM2rf
InChI InChI=1S/C19H21BrO6/c1-22-13-6-5-10(7-15(13)23-2)18-12(21)8-11-14(26-18)9-16(24-3)17(20)19(11)25-4/h5-7,9,12,18,21H,8H2,1-4H3/t12-,18+/m0/s1
InChIKey QQMZNFBFVWLNRX-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 3BGDzG1mn98
Name 2H-1-Benzopyran-3-ol, 6-bromo-2-(3,4-dimethoxyphenyl)-3,4-dihydro-5,7-dimethoxy-, (2R-trans)-
Alternate Name(s) (2R,3S)-6-bromo-2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3,4-dihydro-2H-chromen-3-ol 6-Bromo-3',4',5,7-tetra-O-methyl-(+)-Catechin
CAS Registry Number 78393-95-0
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)23-2)18-12(21)8-11-14(26-18)9-16(24-3)17(20)19(11)25-4/h5-7,9,12,18,21H,8H2,1-4H3/t12-,18+/m0/s1
InChIKey QQMZNFBFVWLNRX-KPZWWZAWSA-N
Molecular Weight 425.275 g/mol
SMILES O[C@@]1([C@@](c2cc(OC)c(cc2)OC)(Oc2c(c(c(c(OC)c2)Br)OC)C1)[H])[H]
SPLASH splash10-0ue9-0910100000-322f9aaffe8c47a58f88
Source of Spectrum KC-1982-975-0
Wiley ID 1379147