Procyanidin B2 3'-gallate

Analyte Name

Procyanidin B2 3'-gallate

CAS Number

73086-04-1

Molecular Formula

C₃₇H₃₀O₁₆

Molecular Weight

730.62

Accurate Mass

730.15

SMILES

OC1=C(C(O)=CC(C(O[C@@H]2CC3=C(O[C@@H]2C4=CC=C(C(O)=C4)O)C([C@@H]5[C@H]([C@H](OC6=C5C(O)=CC(O)=C6)C7=CC(O)=C(C=C7)O)O)=C(O)C=C3O)=O)=C1)O

InChI

InChI=1S/C37H30O16/c38-16-9-23(44)29-27(10-16)51-35(14-2-4-19(40)22(43)6-14)33(49)31(29)30-24(45)12-20(41)17-11-28(52-37(50)15-7-25(46)32(48)26(47)8-15)34(53-36(17)30)13-1-3-18(39)21(42)5-13/h1-10,12,28,31,33-35,38-49H,11H2/t28-,31-,33-,34-,35-/m1/s1

IUPAC

(2R,2'R,3R,3'R,4R)-2,2'-bis(3,4-dihydroxyphenyl)-3,5,5',7,7'-pentahydroxy-[4,8'-bichroman]-3'-yl 3,4,5-trihydroxybenzoate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat