2-Butanoyl-4-((3-butanoyl-2,4-dihydroxy-6-methoxy-5-methylphenyl)methyl)-3,5-dihydroxy-6,6-dimethylcyclohexa-2,4-dien-1-one
Basic information
- CAS
989-54-8- Standard SMILES
CCCC(=O)C1=C(O)C(Cc2c(O)c(C(=O)CCC)c(O)c(C)c2OC)=C(O)C(C)(C)C1=O- InChIKey
RHHXCNHESMAVTJ-UHFFFAOYSA-N- Molecular formula
- C25H32O8
- Average molar mass
- 460.5 g/mol
- Monoisotopic mass
- 460.20971797
Overview
p-Aspidin has been reported in Dryopteris aitoniana with data available.
Names & identifiers
- Preferred name
- 2-Butanoyl-4-((3-butanoyl-2,4-dihydroxy-6-methoxy-5-methylphenyl)methyl)-3,5-dihydroxy-6,6-dimethylcyclohexa-2,4-dien-1-one
- IUPAC
- 2-butanoyl-4-[(3-butanoyl-2,4-dihydroxy-6-methoxy-5-methylphenyl)methyl]-3,5-dihydroxy-6,6-dimethylcyclohexa-2,4-dien-1-one
- English 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 weight
- 0
Names & synonyms
DTXSID609129982-butanoyl-4-[(3-butanoyl-2,4-dihydroxy-6-methoxy-5-methylphenyl)methyl]-3,5-dihydroxy-6,6-dimethylcyclohexa-2,4-dien-1-one2-Butanoyl-4-((3-butanoyl-2,4-dihydroxy-6-methoxy-5-methylphenyl)methyl)-3,5-dihydroxy-6,6-dimethylcyclohexa-2,4-dien-1-oneRefChem:1062536DTXCID001342011p-AspidinParaaspidinp-Aspidin BB989-54-8Butyrophenone, 3'-((5-butyryl-2,4-dihydroxy-3,3-dimethyl-6-oxo-1,4-cyclohexadien-1-yl)methyl)-2',6'-dihydroxy-4'-methoxy-5'-methyl-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)-para-Aspidin BB
Show more names
2-butyryl-6-(3-butyryl-2,4-dihydroxy-6-methoxy-5-methyl-benzyl)-3,5-dihydroxy-4,4-dimethyl-cyclohexa-2,5-dienone3'-[(5-Butyryl-2,4-dihydroxy-3,3-dimethyl-6-oxo-1,4-cyclohexadien-1-yl)methyl]-2',6'-dihydroxy-4'-methoxy-5'-methylbutyrophenone
BRN 2230587Para-aspidinButyrophenone, 3'-[(5-butyryl-2,4-dihydroxy-3,3-dimethyl-6-oxo-1,4-cyclohexadien-1-yl)methyl]-2',6'-dihydroxy-4'-methoxy-5'-methyl-PEU4NN4UZ83-08-00-04399 (Beilstein Handbook Reference)SCHEMBL30212078CMKHZPXDAXVNES-UHFFFAOYSA-N2-[[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
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 141 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 852
Chemistry & industry
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