Technical Information

Formal Name

(2R,2'R,2''R,3R,3'R,3''R,4R,4'S)-2,2',2''-tris(3,4-dihydroxyphenyl)-3,3',3'',4,4',4''-hexahydro-[4,8':4',8''-ter-2H-1-benzopyran]-3,3',3'',5,5',5'',7,7',7''-nonol

CAS Number

37064-30-5

Synonyms

• Proanthocyanidin C1

• Procyanidol C1

Molecular Formula

C45H38O18

Formula Weight

866.8

Purity

≥98%

Formulation(Request formulation change)

A crystalline solid

Solubility(Learn about Variance in Solubility)

• DMF: 30 mg/ml

• DMSO: 30 mg/ml

• Ethanol: 30 mg/ml

• PBS (pH 7.2): 10 mg/ml

λmax

282 nm

SMILES

OC1=CC=C([C@H]2OC(C([C@H]3C4=C(O)C=C(O)C=C4O[C@H](C5=CC(O)=C(O)C=C5)[C@@H]3O)=C(O)C=C6O)=C6[C@H](C7=C(O)C=C(O)C8=C7O[C@H](C9=CC=C(O)C(O)=C9)[C@H](O)C8)[C@H]2O)C=C1O

InChi Code

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

InChi Key

MOJZMWJRUKIQGL-XILRTYJMSA-N

Origin

Plant/Crataegi fructus