Isoorientin

CAS Registry Number®

4261-42-1

CAS Name

Isoorientin

Molecular Formula

C21H20O11

Molecular Mass

448.38

Cite this Page

Isoorientin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=4261-42-1 (retrieved 2024-11-21) (CAS RN: 4261-42-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    236-237 °C (decomp)

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C21H20O11/c22-6-14-17(27)19(29)20(30)21(32-14)16-11(26)5-13-15(18(16)28)10(25)4-12(31-13)7-1-2-8(23)9(24)3-7/h1-5,14,17,19-24,26-30H,6H2/t14-,17-,19+,20-,21+/m1/s1

InChIKey

InChIKey=ODBRNZZJSYPIDI-VJXVFPJBSA-N

SMILES

OC=1C(=C(O)C=C2C1C(=O)C=C(O2)C3=CC(O)=C(O)C=C3)[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O

Canonical SMILES

O=C1C=C(OC2=CC(O)=C(C(O)=C12)C3OC(CO)C(O)C(O)C3O)C=4C=CC(O)=C(O)C4

Other Names for this Substance

  • 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-6-β-D-glucopyranosyl-5,7-dihydroxy-
  • Isoorientin
  • 2-(3,4-Dihydroxyphenyl)-6-β-D-glucopyranosyl-5,7-dihydroxy-4H-1-benzopyran-4-one
  • Homoorientin
  • Lutonaretin

View All

Deleted or Replaced CAS Registry Numbers

1108-05-0, 6658-57-7, 11004-94-7, 39319-16-9, 61383-35-5

CAS INSIGHTSTM
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