3,5-Dihydroxy-4,4-dimethyl-2-(1-oxobutyl)-6-[[2,4,6-trihydroxy-3-methyl-5-(1-oxobutyl)phenyl]methyl]-2,5-cyclohexadien-1-one

CAS Registry Number®

114-42-1

CAS Name

3,5-Dihydroxy-4,4-dimethyl-2-(1-oxobutyl)-6-[[2,4,6-trihydroxy-3-methyl-5-(1-oxobutyl)phenyl]methyl]-2,5-cyclohexadien-1-one

Molecular Formula

C24H30O8

Molecular Mass

446.49

Cite this Page

3,5-Dihydroxy-4,4-dimethyl-2-(1-oxobutyl)-6-[[2,4,6-trihydroxy-3-methyl-5-(1-oxobutyl)phenyl]methyl]-2,5-cyclohexadien-1-one.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=114-42-1 (retrieved 2024-11-22) (CAS RN: 114-42-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    156 °C

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

InChI=1S/C24H30O8/c1-6-8-14(25)16-19(28)11(3)18(27)12(20(16)29)10-13-21(30)17(15(26)9-7-2)23(32)24(4,5)22(13)31/h27-29,31-32H,6-10H2,1-5H3

InChIKey

InChIKey=HNAIAJNEQWTLNE-UHFFFAOYSA-N

SMILES

C(C=1C(=O)C(C(CCC)=O)=C(O)C(C)(C)C1O)C2=C(O)C(C(CCC)=O)=C(O)C(C)=C2O

Canonical SMILES

O=C1C(C(=O)CCC)=C(O)C(C(O)=C1CC=2C(O)=C(C(O)=C(C2O)C)C(=O)CCC)(C)C

Other Names for this Substance

  • 2,5-Cyclohexadien-1-one, 3,5-dihydroxy-4,4-dimethyl-2-(1-oxobutyl)-6-[[2,4,6-trihydroxy-3-methyl-5-(1-oxobutyl)phenyl]methyl]-
  • Butyrophenone, 3′-[(5-butyryl-2,4-dihydroxy-3,3-dimethyl-6-oxo-1,4-cyclohexadien-1-yl)methyl]-2′,4′,6′-trihydroxy-5′-methyl-
  • Phlorobutyrophenone, 3′-[(5-butyryl-2,4-dihydroxy-3,3-dimethyl-6-oxo-1,4-cyclohexadien-1-yl)methyl]-5′-methyl-
  • 3,5-Dihydroxy-4,4-dimethyl-2-(1-oxobutyl)-6-[[2,4,6-trihydroxy-3-methyl-5-(1-oxobutyl)phenyl]methyl]-2,5-cyclohexadien-1-one
  • Flavaspidic acid

View All

Deleted or Replaced CAS Registry Numbers

2216756-37-3

CAS INSIGHTSTM
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