Procyanidin C1(P)

Analyte Name

Procyanidin C1

CAS Number

37064-30-5

Molecular Formula

C45 H38 O18

Molecular Weight

866.77

Accurate Mass

866.2058

Appearance/Form

Solid

Flash Point

4

Color

Brown

Odor

Odourless

SMILES

O[C@@H]1Cc2c(O)cc(O)c([C@@H]3[C@@H](O)[C@H](Oc4c3c(O)cc(O)c4[C@@H]5[C@@H](O)[C@H](Oc6cc(O)cc(O)c56)c7ccc(O)c(O)c7)c8ccc(O)c(O)c8)c2O[C@@H]1c9ccc(O)c(O)c9

InChI

InChI=1S/C45H38O18/c46-18-10-27(54)33-32(11-18)61-42(16-2-5-21(48)25(52)8-16)39(59)37(33)35-29(56)14-30(57)36-38(40(60)43(63-45(35)36)17-3-6-22(49)26(53)9-17)34-28(55)13-23(50)19-12-31(58)41(62-44(19)34)15-1-4-20(47)24(51)7-15/h1-11,13-14,31,37-43,46-60H,12H2/t31-,37-,38+,39-,40-,41-,42-,43-/m1/s1

IUPAC

(2R,3R,4S)-2-(3,4-dihydroxyphenyl)-4-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-8-[(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol

Storage Temperature

-20°C

Shipping Temperature

Ice pack (-20°C)

Country of Origin

UNITED STATES

Tariff Code

29329900

Product Format

Neat