Baicalin(21967-41-9) MS
Product NameBaicalin
CAS21967-41-9
Molecular FormulaC21H18O11
Molecular Weight446.36
InChIInChI=1/C21H18O11/c22-9-6-10(8-4-2-1-3-5-8)30-11-7-12(14(23)15(24)13(9)11)31-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-7,16-19,21,23-27H,(H,28,29)/t16-,17-,18+,19-,21+/s3
InChIKey IKIIZLYTISPENI-ZWDBVKRXNA-N
SmilesOC1C(=C(O[C@H]2[C@@H]([C@@H](O)[C@H](O)[C@@H](C(=O)O)O2)O)C=C2OC(C3C=CC=CC=3)=CC(=O)C=12)O |&1:5,6,7,9,11,r|
