Chemical Compound

Baicalin

CAS Registry Number 21967-41-9
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Baicalin chemical structure
Primary Record

Baicalin

In stock
9,207 g
Purity
98.9 %
CAS
21967-41-9

Compound Identifiers & Properties

CAS
21967-41-9
PubChem CID
1549028
SMILES
C1=CC=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)O[C@@H]4[C@H]([C@@H]([C@H]([C@@H](O4)C(=O)O)O)O)O)O)O
Canonical SMILES
O=C(O)[C@@H]1O[C@H](Oc2cc3oc(-c4ccccc4)cc(=O)c3c(O)c2O)[C@@H](O)[C@H](O)[C@H]1O

Names & Synonyms

  • Baicalin
  • Baicalein-7-O-glucuronide
  • IKIIZLYTISPENI-YRIDSSQKSA-
  • ZINC1531663
  • (2S,3S,4S,5R,6S)-6-(5,6-dihydroxy-4-oxo-2-phenylchromen-7-yl)oxy-3,4,5-trihydrox
  • 21967-41-9
  • InChI=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+/m1/s1