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

CAS Registry Number®

989-54-8

CAS Name

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

Molecular Formula

C25H32O8

Molecular Mass

460.52

Cite this Page

2-[[2,4-Dihydroxy-6-methoxy-5-methyl-3-(1-oxobutyl)phenyl]methyl]-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=989-54-8 (retrieved 2024-12-23) (CAS RN: 989-54-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    120-121 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C25H32O8/c1-7-9-15(26)17-19(28)12(3)22(33-6)13(20(17)29)11-14-21(30)18(16(27)10-8-2)24(32)25(4,5)23(14)31/h28-29,31-32H,7-11H2,1-6H3

InChIKey

InChIKey=CMKHZPXDAXVNES-UHFFFAOYSA-N

SMILES

C(C1=C(OC)C(C)=C(O)C(C(CCC)=O)=C1O)C=2C(=O)C(C(CCC)=O)=C(O)C(C)(C)C2O

Canonical SMILES

O=C1C(C(=O)CCC)=C(O)C(C(O)=C1CC=2C(O)=C(C(O)=C(C2OC)C)C(=O)CCC)(C)C

Other Names for this Substance

  • 2,5-Cyclohexadien-1-one, 2-[[2,4-dihydroxy-6-methoxy-5-methyl-3-(1-oxobutyl)phenyl]methyl]-3,5-dihydroxy-4,4-dimethyl-6-(1-oxobutyl)-
  • Butyrophenone, 3′-[(5-butyryl-2,4-dihydroxy-3,3-dimethyl-6-oxo-1,4-cyclohexadien-1-yl)methyl]-2′,6′-dihydroxy-4′-methoxy-5′-methyl-
  • Paraaspidin
  • 2-[[2,4-Dihydroxy-6-methoxy-5-methyl-3-(1-oxobutyl)phenyl]methyl]-3,5-dihydroxy-4,4-dimethyl-6-(1-oxobutyl)-2,5-cyclohexadien-1-one
  • p-Aspidin

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