Silybin

• CAS: 802918-57-6
• Catalog Number: ACM802918576
• Category: Other Products
• Molecular Weight: 482.44
• Molecular Formula: C25H22O10
• Synonyms: Legalon
• IUPAC Name: (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
• Canonical SMILES: 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
• 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
• InChI Key: SEBFKMXJBCUCAI-DBMPWETRSA-N
• Melting Point: 152-153 °C
• Appearance: Solid
• Storage: Refrigerator
• Complexity: 750
• EC Number: 245-302-5
• Exact Mass: 482.12129689
• Isomeric SMILES: COC1=C(C=CC(=C1)C2C(OC3=C(O2)C=C(C=C3)[C@@H]4[C@H](C(=O)C5=C(C=C(C=C5O4)O)O)O)CO)O
• Monoisotopic Mass: 482.12129689
• Topological Polar Surface Area: 155 Ų