6493-05-6 Purity
99.35%
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Specification
The molecular formula of silymarin is C25H22O10.
The molecular weight of silymarin is 482.4 g/mol.
The IUPAC name of silymarin is 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.
The synonyms of silymarin include SILYBIN, Legalon, Silliver, and more.
The CAS number of silymarin is 65666-07-1.
The InChI key of silymarin is SEBFKMXJBCUCAI-UHFFFAOYSA-N.
The canonical SMILES of silymarin is COC1=C(C=CC(=C1)C2C(OC3=C(O2)C=C(C=C3)C4C(C(=O)C5=C(C=C(C=C5O4)O)O)O)CO)O.
The XLogP3-AA value of silymarin is 2.4.
Silymarin has 5 hydrogen bond donor counts.
Silymarin has 4 rotatable bond counts.