Silybin A,B (mixture)

Analyte Name

Silybin (A+B)

CAS Number

802918-57-6

Molecular Formula

C25 H22 O10

Molecular Weight

482.44

Accurate Mass

482.1213

SMILES

COc1cc(ccc1O)C2Oc3cc(ccc3OC2CO)[C@H]4Oc5cc(O)cc(O)c5C(=O)[C@@H]4O

InChI

InChI=1S/C25H22O10/c1-32-17-6-11(2-4-14(17)28)24-20(10-26)33-16-5-3-12(7-18(16)34-24)25-23(31)22(30)21-15(29)8-13(27)9-19(21)35-25/h2-9,20,23-29,31H,10H2,1H3/t20?,23-,24?,25+/m0/s1

IUPAC

(2R,3R)-3,5,7-trihydroxy-2-[3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,3-dihydrochromen-4-one

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

Purity

>95% (HPLC)