Isoswertiajaponin

CAS Registry Number®

6980-41-2

CAS Name

Isoswertiajaponin

Molecular Formula

C22H22O11

Molecular Mass

462.40

Cite this Page

Isoswertiajaponin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=6980-41-2 (retrieved 2025-01-21) (CAS RN: 6980-41-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    258-261 °C (decomp)

Source(s)

Other Names and Identifiers

InChI

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

InChIKey

InChIKey=BRYZTZMVXZZLPD-PGPONNFDSA-N

SMILES

O(C)C=1C(=C2C(C(=O)C=C(O2)C3=CC(O)=C(O)C=C3)=C(O)C1)[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O

Canonical SMILES

O=C1C=C(OC=2C1=C(O)C=C(OC)C2C3OC(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)-8-β-D-glucopyranosyl-5-hydroxy-7-methoxy-
  • Isoswertiajaponin
  • 2-(3,4-Dihydroxyphenyl)-8-β-D-glucopyranosyl-5-hydroxy-7-methoxy-4H-1-benzopyran-4-one