Swertisin

CAS Registry Number®

6991-10-2
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CAS Name

Swertisin

Molecular Formula

C22H22O10

Molecular Mass

446.40

Cite this Page

Swertisin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=6991-10-2 (retrieved 2024-09-07) (CAS RN: 6991-10-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    243 °C (decomp)

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C22H22O10/c1-30-13-7-14-16(11(25)6-12(31-14)9-2-4-10(24)5-3-9)19(27)17(13)22-21(29)20(28)18(26)15(8-23)32-22/h2-7,15,18,20-24,26-29H,8H2,1H3/t15-,18-,20+,21-,22+/m1/s1

InChIKey

InChIKey=ABRULANJVVJLFI-DGHBBABESA-N

SMILES

O(C)C1=C(C(O)=C2C(=C1)OC(=CC2=O)C3=CC=C(O)C=C3)[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O

Canonical SMILES

O=C1C=C(OC=2C=C(OC)C(=C(O)C12)C3OC(CO)C(O)C(O)C3O)C=4C=CC(O)=CC4

Other Names for this Substance

  • 4H-1-Benzopyran-4-one, 6-β-D-glucopyranosyl-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-
  • Swertisin
  • 6-β-D-Glucopyranosyl-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4H-1-benzopyran-4-one
  • Flavocommelitin
  • 6-β-D-Glucopyranosyl-4′,5-dihydroxy-7-methoxyflavone

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Deleted or Replaced CAS Registry Numbers

1401-51-0, 16049-43-7