Sarothralin
Basic information
- CAS
96624-40-7- Standard SMILES
CC(C)=CCOc1cc(O)c(CC2=C(O)C(C)(C)C(=O)C(C(=O)C(C)C)=C2O)c(O)c1C(=O)c1ccccc1- InChIKey
CTSAWQOSUXMFIZ-UHFFFAOYSA-N- Molecular formula
- C31H34O8
- Average molar mass
- 534.6 g/mol
- Monoisotopic mass
- 534.22536804
Overview
Sarothralin is a member of benzophenones.
Names & identifiers
- Preferred name
- Sarothralin
- IUPAC
- 4-[[3-benzoyl-2,6-dihydroxy-4-(3-methylbut-2-enoxy)phenyl]methyl]-3,5-dihydroxy-6,6-dimethyl-2-(2-methylpropanoyl)cyclohexa-2,4-dien-1-one
Names & synonyms
Sarothralin96624-40-74-[[3-benzoyl-2,6-dihydroxy-4-(3-methylbut-2-enoxy)phenyl]methyl]-3,5-dihydroxy-6,6-dimethyl-2-(2-methylpropanoyl)cyclohexa-2,4-dien-1-oneDTXSID403266304-((3-benzoyl-2,6-dihydroxy-4-(3-methylbut-2-enoxy)phenyl)methyl)-3,5-dihydroxy-6,6-dimethyl-2-(2-methylpropanoyl)cyclohexa-2,4-dien-1-oneRefChem:181454DTXCID30277743C09969AC1L74CIonin cCTK3I7093CHEBI:9035
Show more names
CHEMBL4292649SCHEMBL27968780NSC606405NSC-606405Q271082264-({3-Benzoyl-2,6-dihydroxy-4-[(3-methylbut-2-en-1-yl)oxy]phenyl}methyl)-3,5-dihydroxy-6,6-dimethyl-2-(2-methylpropanoyl)cyclohexa-2,4-dien-1-one
Database identifiers
- CAS
96624-40-7- PubChem CID
- 354448
- DTXSID
DTXSID40326630- ChEMBL
CHEMBL4292649- ChEBI
CHEBI:9035- Nikkaji
- J137.916J
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 141 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 1,050
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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