Patulitrin

CAS Registry Number®

19833-25-1
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CAS Name

Patulitrin

Molecular Formula

C22H22O13

Molecular Mass

494.40

Cite this Page

Patulitrin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=19833-25-1 (retrieved 2024-09-19) (CAS RN: 19833-25-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    261-263 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C22H22O13/c1-32-21-11(34-22-19(31)17(29)14(26)12(6-23)35-22)5-10-13(16(21)28)15(27)18(30)20(33-10)7-2-3-8(24)9(25)4-7/h2-5,12,14,17,19,22-26,28-31H,6H2,1H3/t12-,14-,17+,19-,22-/m1/s1

InChIKey

InChIKey=AFCDXKGLUDDXCK-LMTLLXHESA-N

SMILES

OC1=C2C(OC(=C(O)C2=O)C3=CC(O)=C(O)C=C3)=CC(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)=C1OC

Canonical SMILES

O=C1C(O)=C(OC=2C=C(OC3OC(CO)C(O)C(O)C3O)C(OC)=C(O)C12)C=4C=CC(O)=C(O)C4

Other Names for this Substance

  • 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-7-(β-D-glucopyranosyloxy)-3,5-dihydroxy-6-methoxy-
  • Patulitrin
  • 2-(3,4-Dihydroxyphenyl)-7-(β-D-glucopyranosyloxy)-3,5-dihydroxy-6-methoxy-4H-1-benzopyran-4-one
  • Patuletin 7-β-D-glucopyranoside
  • Patuletin 7-glucoside

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Deleted or Replaced CAS Registry Numbers

11050-96-7