Basic information
- CAS
114-43-2- Standard SMILES
CCCC(=O)C1=C(O)C(Cc2c(OC)cc(O)c(C(=O)CCC)c2O)=C(O)C(C)(C)C1=O- InChIKey
XDIZFCKCCMUFFG-UHFFFAOYSA-N- Molecular formula
- C24H30O8
- Average molar mass
- 446.5 g/mol
- Monoisotopic mass
- 446.19406791
Overview
Desaspidin is an aromatic ketone.
Names & identifiers
- Preferred name
- 2-Butanoyl-4-((3-butanoyl-2,4-dihydroxy-6-methoxyphenyl)methyl)-3,5-dihydroxy-6,6-dimethylcyclohexa-2,4-dien-1-one
- IUPAC
- 2-butanoyl-4-[(3-butanoyl-2,4-dihydroxy-6-methoxyphenyl)methyl]-3,5-dihydroxy-6,6-dimethylcyclohexa-2,4-dien-1-one
- English name
- DESASPIDIN
- Molecular formula
- C24H30O8
- Molecular weight
- 446.4902
Names & synonyms
60842-45-7DTXSID009763172-butanoyl-4-[(3-butanoyl-2,4-dihydroxy-6-methoxyphenyl)methyl]-3,5-dihydroxy-6,6-dimethylcyclohexa-2,4-dien-1-one2-Butanoyl-4-((3-butanoyl-2,4-dihydroxy-6-methoxyphenyl)methyl)-3,5-dihydroxy-6,6-dimethylcyclohexa-2,4-dien-1-oneRefChem:1062537DTXCID001403695DesaspidinDesaspidin BBRosapin114-43-2Desaspidin [INN]Desaspidina
Show more names
DesaspidineKV3495SGKSDesaspidin (INN)Desapidin3'-((5-Butyryl-2,4-dihydroxy-3,3-dimethyl-6-oxo-1,4-cyclohexadien-1-yl)methyl)-2',6'-dihydroxy-4'-methoxybutyrophenoneButyrophenone, 3'-((5-butyryl-2,4-dihydroxy-3,3-dimethyl-6-oxo-1,4-cyclohexadien-1-yl)methyl)-2',6'-dihydroxy-4'-methoxy-DesaspidinumDesaspidine [INN-French]
Database identifiers
- CAS
114-43-2、60842-45-7- PubChem CID
- 8238
- DTXSID
DTXSID00976317
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 141 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 822
Chemistry & industry
Suppliers2 total
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Additional notes
DefinitionChEBI: Desaspidin is an aromatic ketone.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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