Isoscoparin

CAS Registry Number®

20013-23-4
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CAS Name

Isoscoparin

Molecular Formula

C22H22O11

Molecular Mass

462.40

Cite this Page

Isoscoparin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=20013-23-4 (retrieved 2024-07-08) (CAS RN: 20013-23-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C22H22O11/c1-31-13-4-8(2-3-9(13)24)12-5-10(25)16-14(32-12)6-11(26)17(19(16)28)22-21(30)20(29)18(27)15(7-23)33-22/h2-6,15,18,20-24,26-30H,7H2,1H3/t15-,18-,20+,21-,22+/m1/s1

InChIKey

InChIKey=KOMUHHCFAXYRPO-DGHBBABESA-N

SMILES

OC1=C2C(OC(=CC2=O)C3=CC(OC)=C(O)C=C3)=CC(O)=C1[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(OC)C4

Other Names for this Substance

  • 4H-1-Benzopyran-4-one, 6-β-D-glucopyranosyl-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-
  • Isoscoparin
  • 6-β-D-Glucopyranosyl-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-1-benzopyran-4-one
  • Isoorientin 3′-methyl ether
  • Isoorientin 3′-O-methyl ether

Deleted or Replaced CAS Registry Numbers

1379538-92-7