Nepitrin

CAS Registry Number®

569-90-4

CAS Name

Nepitrin

Molecular Formula

C22H22O12

Molecular Mass

478.40

Cite this Page

Nepitrin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=569-90-4 (retrieved 2024-11-22) (CAS RN: 569-90-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C22H22O12/c1-31-21-14(33-22-20(30)19(29)17(27)15(7-23)34-22)6-13-16(18(21)28)11(26)5-12(32-13)8-2-3-9(24)10(25)4-8/h2-6,15,17,19-20,22-25,27-30H,7H2,1H3/t15-,17-,19+,20-,22-/m1/s1

InChIKey

InChIKey=DMXHXBGUNHLMQO-IWLDQSELSA-N

SMILES

OC1=C2C(=CC(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=C1OC)OC(=CC2=O)C4=CC(O)=C(O)C=C4

Canonical SMILES

O=C1C=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)-5-hydroxy-6-methoxy-
  • Nepitrin
  • Flavone, 3′,4′,5,7-tetrahydroxy-6-methoxy-, 7-β-D-glucopyranoside
  • 2-(3,4-Dihydroxyphenyl)-7-(β-D-glucopyranosyloxy)-5-hydroxy-6-methoxy-4H-1-benzopyran-4-one
  • 6-Methoxyluteolin 7-glucoside

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Deleted or Replaced CAS Registry Numbers

27923-79-1