(+)-Epigriseofulvin
Basic information
- CAS
67890-77-1- Standard SMILES
COC1=CC(=O)C[C@H](C)[C@]12Oc1c(Cl)c(OC)cc(OC)c1C2=O- InChIKey
DDUHZTYCFQRHIY-QPFGOUBPSA-N- Molecular formula
- C17H17ClO6
- Average molar mass
- 352.8 g/mol
- Monoisotopic mass
- 352.071366
Overview
rel-(1'R,6'R)-7-Chloro-2',4,6-trimethoxy-6'-methylspiro[benzofuran-2(3H),1'-[2]cyclohexene]-3,4'-dione has been reported in Penicillium solitum with data available.
Names & identifiers
- Preferred name
- (+)-Epigriseofulvin
- IUPAC
- (2S,5'S)-7-chloro-3',4,6-trimethoxy-5'-methylspiro[1-benzofuran-2,4'-cyclohex-2-ene]-1',3-dione
Names & synonyms
(+)-EpigriseofulvinDTXSID101112449EBC-1348967890-77-1EN300-27692828(1'S,6'S)-7-Chloro-2',4,6-trimethoxy-6'-methyl-3H-spiro[[1]benzofuran-2,1'-cyclohex[2]ene]-3,4'-dione(2S,6'S)-7-chloro-2',4,6-trimethoxy-6'-methyl-3H-spiro[1-benzofuran-2,1'-cyclohexan]-2'-ene-3,4'-dionerel-(1a(2)R,6a(2)R)-7-Chloro-2a(2),4,6-trimethoxy-6a(2)-methylspiro[benzofuran-2(3H),1a(2)-[2]cyclohexene]-3,4a(2)-dione
Database identifiers
- CAS
67890-77-1- PubChem CID
- 978391
- DTXSID
DTXSID101112449
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 71.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 575
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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