Baicalin

CAS Registry Number®

21967-41-9

CAS Name

Baicalin

Molecular Formula

C21H18O11

Molecular Mass

446.36

Cite this Page

Baicalin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=21967-41-9 (retrieved 2024-11-22) (CAS RN: 21967-41-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    223 °C

Source(s)

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

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Deleted or Replaced CAS Registry Numbers

100647-26-5, 27462-75-5, 31564-28-0, 912850-49-8

CAS INSIGHTSTM
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