2,2′-[[2,4,6-Trihydroxy-5-(1-oxobutyl)-1,3-phenylene]bis(methylene)]bis[3,5-dihydroxy-4,4-dimethyl-6-(1-oxobutyl)-2,5-cyclohexadien-1-one]

CAS Registry Number®

4482-83-1

CAS Name

2,2′-[[2,4,6-Trihydroxy-5-(1-oxobutyl)-1,3-phenylene]bis(methylene)]bis[3,5-dihydroxy-4,4-dimethyl-6-(1-oxobutyl)-2,5-cyclohexadien-1-one]

Molecular Formula

C36H44O12

Molecular Mass

668.73

Cite this Page

2,2′-[[2,4,6-Trihydroxy-5-(1-oxobutyl)-1,3-phenylene]bis(methylene)]bis[3,5-dihydroxy-4,4-dimethyl-6-(1-oxobutyl)-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=4482-83-1 (retrieved 2024-11-22) (CAS RN: 4482-83-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    168-170 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C36H44O12/c1-8-11-20(37)23-27(41)16(14-18-29(43)24(21(38)12-9-2)33(47)35(4,5)31(18)45)26(40)17(28(23)42)15-19-30(44)25(22(39)13-10-3)34(48)36(6,7)32(19)46/h40-42,45-48H,8-15H2,1-7H3

InChIKey

InChIKey=CBJLTLWLKQTVHD-UHFFFAOYSA-N

SMILES

C(C1=C(O)C(CC=2C(=O)C(C(CCC)=O)=C(O)C(C)(C)C2O)=C(O)C(C(CCC)=O)=C1O)C=3C(=O)C(C(CCC)=O)=C(O)C(C)(C)C3O

Canonical SMILES

O=C1C(C(=O)CCC)=C(O)C(C(O)=C1CC2=C(O)C(C(=O)CCC)=C(O)C(=C2O)CC=3C(=O)C(C(=O)CCC)=C(O)C(C3O)(C)C)(C)C

Other Names for this Substance

  • 2,5-Cyclohexadien-1-one, 2,2′-[[2,4,6-trihydroxy-5-(1-oxobutyl)-1,3-phenylene]bis(methylene)]bis[3,5-dihydroxy-4,4-dimethyl-6-(1-oxobutyl)-
  • Butyrophenone, 3′,5′-bis[(5-butyryl-2,4-dihydroxy-3,3-dimethyl-6-oxo-1,4-cyclohexadien-1-yl)methyl]-2′,4′,6′-trihydroxy-
  • Phlorobutyrophenone, 3′,5′-bis[(5-butyryl-2,4-dihydroxy-3,3-dimethyl-6-oxo-1,4-cyclohexadien-1-yl)methyl]-
  • 2,2′-[[2,4,6-Trihydroxy-5-(1-oxobutyl)-1,3-phenylene]bis(methylene)]bis[3,5-dihydroxy-4,4-dimethyl-6-(1-oxobutyl)-2,5-cyclohexadien-1-one]
  • Filixic acid

View All

Deleted or Replaced CAS Registry Numbers

1391-56-6, 11041-32-0

CAS INSIGHTSTM
Targeted protein degrader structure, illustration