Baicalin methyl ester

• CAT Number: I018444
• CAS Number: 82475-03-4
• Molecular Formula: C22H20O11
• Molecular Weight: 460.39
• Purity: ≥95%
• Synonyms: methyl (2S,3S,4S,5R,6S)-6-(5,6-dihydroxy-4-oxo-2-phenylchromen-7-yl)oxy-3,4,5-trihydroxyoxane-2-carboxylate
• InChI: InChI=1S/C22H20O11/c1-30-21(29)20-18(27)17(26)19(28)22(33-20)32-13-8-12-14(16(25)15(13)24)10(23)7-11(31-12)9-5-3-2-4-6-9/h2-8,17-20,22,24-28H,1H3/t17-,18-,19+,20-,22+/m0/s1
• InChIKey: AOWRAYJMTOYETH-SXFAUFNYSA-N
• SMILES: COC(=O)C1C(C(C(C(O1)OC2=C(C(=C3C(=C2)OC(=CC3=O)C4=CC=CC=C4)O)O)O)O)O

Baicalin methyl ester is a constituent of the roots of S. baicalmsis[1].

Reference

[1]. KazutakaNishikawa, et al. Flavonoids in root cultures of Scutellaria baicalensis. Journal of Plant Physiology. 1997, 151(5): 633-636.