Product Code

TRC-P755825

CAS Number

79907-44-1

Product Format

Neat

Molecular Formula

C44H34O20

Molecular Weight

882.73

Product Categories

TRC, API Reference Standards & Research Materials

Product Type

API

Price and availability

48-hour USA dispatch time

Freight restricted.

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Product Information

Chemical Data

Analyte Name

Procyanidin B2 3,3'-di-O-gallate

CAS Number

79907-44-1

Molecular Formula

C44H34O20

Molecular Weight

882.73

Accurate Mass

882.1643

SMILES

Oc1cc(O)c2[C@@H]([C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c4ccc(O)c(O)c4)c5c(O)cc(O)c6C[C@@H](OC(=O)c7cc(O)c(O)c(O)c7)[C@H](Oc56)c8ccc(O)c(O)c8

InChI

InChI=1S/C44H34O20/c45-19-11-26(51)34-32(12-19)61-40(16-2-4-22(47)25(50)6-16)42(64-44(60)18-9-30(55)38(58)31(56)10-18)36(34)35-27(52)14-23(48)20-13-33(62-43(59)17-7-28(53)37(57)29(54)8-17)39(63-41(20)35)15-1-3-21(46)24(49)5-15/h1-12,14,33,36,39-40,42,45-58H,13H2/t33-,36-,39-,40-,42-/m1/s1

IUPAC

[(2R,3R)-2-(3,4-dihydroxyphenyl)-8-[(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyl)oxy-3,4-dihydro-2H-chromen-4-yl]-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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Procyanidin B2 3,3'-di-O-gallate (>80%)

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