Pieceid-2''-O-Gallate

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Catalog Number ACM105304516
Product Name Pieceid-2''-O-Gallate
CAS Number 105304-51-6
IUPAC Name [(2S,3R,4R,5S,6R)-5-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]-4,5-dihydroxy-6-(hydroxymethyl)-2-phenoxyoxan-3-yl] 3,4,5-trihydroxybenzoate
Molecular Weight 542.5
Molecular Formula C27H26O12
Canonical SMILES C1=CC=C(C=C1)OC2C(C(C(C(O2)CO)(C=CC3=CC(=CC(=C3)O)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O
Inchi InChI=1S/C27H26O12/c28-13-21-27(36,7-6-14-8-16(29)12-17(30)9-14)24(34)23(26(38-21)37-18-4-2-1-3-5-18)39-25(35)15-10-19(31)22(33)20(32)11-15/h1-12,21,23-24,26,28-34,36H,13H2/b7-6+/t21-,23-,24-,26-,27-/m1/s1
InChIKey YVAPPPYBCIJACC-UBFVITNGSA-N
Purity 98%
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