Citrunobin

CAS Registry Number®

126026-23-1

CAS Name

Citrunobin

Molecular Formula

C21H20O5

Molecular Mass

352.38

Cite this Page

Citrunobin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=126026-23-1 (retrieved 2025-01-31) (CAS RN: 126026-23-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    183-184 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C21H20O5/c1-21(2)11-10-15-18(25-3)12-17(24)19(20(15)26-21)16(23)9-6-13-4-7-14(22)8-5-13/h4-12,22,24H,1-3H3/b9-6+

InChIKey

InChIKey=RPGWAGOTDRYEAD-RMKNXTFCSA-N

SMILES

C(/C=C/C1=CC=C(O)C=C1)(=O)C2=C3C(=C(OC)C=C2O)C=CC(C)(C)O3

Canonical SMILES

O=C(C=CC1=CC=C(O)C=C1)C2=C(O)C=C(OC)C=3C=CC(OC32)(C)C

Other Names for this Substance

  • 2-Propen-1-one, 1-(7-hydroxy-5-methoxy-2,2-dimethyl-2H-1-benzopyran-8-yl)-3-(4-hydroxyphenyl)-, (2E)-
  • 2-Propen-1-one, 1-(7-hydroxy-5-methoxy-2,2-dimethyl-2H-1-benzopyran-8-yl)-3-(4-hydroxyphenyl)-, (E)-
  • (2E)-1-(7-Hydroxy-5-methoxy-2,2-dimethyl-2H-1-benzopyran-8-yl)-3-(4-hydroxyphenyl)-2-propen-1-one
  • Citrunobin