CAS: 126715-93-3 - Benzoic acid, 3,4,5-trihydroxy-, (2R,2′R,3R,3′R,4S)-3,3′,4,4′-tetrahydro-5,5′,7,7′-tetrahydroxy-2-(4-hydroxyphenyl)-2′-(3,4,5-trihydroxyphenyl)[4,6′-bi-2H-1-benzopyran]-3,3′-diyl ester

Formula: C₄₄H₃₄O₂₀

InChI: InChI=1S/C44H34O20/c45-19-3-1-15(2-4-19)41-42(64-44(60)18-9-28(53)39(58)29(54)10-18)35(33-22(47)11-20(46)12-31(33)62-41)34-23(48)14-30-21(36(34)55)13-32(40(61-30)16-5-24(49)37(56)25(50)6-16)63-43(59)17-7-26(51)38(57)27(52)8-17/h1-12,14,32,35,40-42,45-58H,13H2/t32-,35-,40-,41-,42-/m1/s1

InChI key: InChIKey=BZQGRVQEWHQYDX-XREIVNNOSA-N

SMILES: O=C(OC1CC2=C(O)C(=C(O)C=C2OC1C3=CC(O)=C(O)C(O)=C3)C4C=5C(O)=CC(O)=CC5OC(C6=CC=C(O)C=C6)C4OC(=O)C7=CC(O)=C(O)C(O)=C7)C8=CC(O)=C(O)C(O)=C8

Synonyms:

• Benzoic acid, 3,4,5-trihydroxy-, 3,3′,4,4′-tetrahydro-5,5′,7,7′-tetrahydroxy-2-(4-hydroxyphenyl)-2′-(3,4,5-trihydroxyphenyl)[4,6′-bi-2H-1-benzopyran]-3,3′-diyl ester, [2R-[2α,3α,4β(2′R*,3′R*)]]-
• Benzoic acid, 3,4,5-trihydroxy-, (2R,2′R,3R,3′R,4S)-3,3′,4,4′-tetrahydro-5,5′,7,7′-tetrahydroxy-2-(4-hydroxyphenyl)-2′-(3,4,5-trihydroxyphenyl)[4,6′-bi-2H-1-benzopyran]-3,3′-diyl ester

(-)-Epiafzelechin 3-O-gallate(4b-6)

CAS: 126715-93-3

Epiafzelechin 3-O-gallate is a natural compound found in the plant Theasine. It has been shown …

• Formula: C₄₄H₃₄O₂₀
• Purity: Min. 95%
• Molecular weight: 882.73 g/mol