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6-p-Acetoxybenzyl-8-bromo-3,3',4',5,7-penta-O-acetyl-(+)-catechin
SpectraBase Compound ID 2kMuCUJ2gnZ
InChI InChI=1S/C34H31BrO13/c1-16(36)42-24-10-7-22(8-11-24)13-25-32(46-20(5)40)26-15-29(45-19(4)39)31(48-34(26)30(35)33(25)47-21(6)41)23-9-12-27(43-17(2)37)28(14-23)44-18(3)38/h7-12,14,29,31H,13,15H2,1-6H3
InChIKey AJLWPJLYIIUHGK-UHFFFAOYSA-N
Mol Weight 727.5 g/mol
Molecular Formula C34H31BrO13
Exact Mass 726.094804 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6US6l856ZrI
Name 6-p-Acetoxybenzyl-8-bromo-3,3',4',5,7-penta-O-acetyl-(+)-catechin
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H31BrO13
InChI InChI=1S/C34H31BrO13/c1-16(36)42-24-10-7-22(8-11-24)13-25-32(46-20(5)40)26-15-29(45-19(4)39)31(48-34(26)30(35)33(25)47-21(6)41)23-9-12-27(43-17(2)37)28(14-23)44-18(3)38/h7-12,14,29,31H,13,15H2,1-6H3
InChIKey AJLWPJLYIIUHGK-UHFFFAOYSA-N
Molecular Weight 727.513 g/mol
SMILES c12c(c(Br)c(c(c2OC(=O)C)Cc2ccc(OC(=O)C)cc2)OC(=O)C)OC(C(C1)OC(=O)C)c1cc(OC(=O)C)c(cc1)OC(=O)C
SPLASH splash10-0002-0914000000-fc9f3c8ca2bc4adcbd87
Source of Spectrum KC-1982-977-0
Synonyms 2-(acetyloxy)-4-{3,5,7-tris(acetyloxy)-6-[4-(acetyloxy)benzyl]-8-bromo-3,4-dihydro-2H-chromen-2-yl}phenyl acetate
Wiley ID 1415800