CAS Registry Number®
21967-41-9
CAS Name
Baicalin
Molecular Formula
C21H18O11
Molecular Mass
446.36
Compound Properties
-
Melting Point (1)
223 °C
Source(s)
- (1) Shibata, Keita; Acta Phytochimica, (1923), 1, 105-39, CAplus
Other Names and Identifiers
InChI
InChI=1S/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+/m0/s1
InChIKey
InChIKey=IKIIZLYTISPENI-ZFORQUDYSA-N
SMILES
OC1=C2C(OC(=CC2=O)C3=CC=CC=C3)=CC(O[C@@H]4O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]4O)=C1O
Canonical SMILES
O=C(O)C1OC(OC=2C=C3OC(=CC(=O)C3=C(O)C2O)C=4C=CC=CC4)C(O)C(O)C1O
Other Names for this Substance
- β-D-Glucopyranosiduronic acid, 5,6-dihydroxy-4-oxo-2-phenyl-4H-1-benzopyran-7-yl
- Baicalin
- 5,6-Dihydroxy-4-oxo-2-phenyl-4H-1-benzopyran-7-yl β-D-glucopyranosiduronic acid
- Baicalein 7-glucuronide
- Baicalein 7-O-β-D-glucuronide
- Baicalein 7-O-glucuronide
Deleted or Replaced CAS Registry Numbers
100647-26-5, 27462-75-5, 31564-28-0, 912850-49-8
