Basic information
- CAS
211441-46-2- Standard SMILES
CCCCCCC1(O)OC(=O)c2c(O)cccc21- InChIKey
VZZYFXFREWNSCJ-UHFFFAOYSA-N- Molecular formula
- C14H18O4
- Average molar mass
- 250.29 g/mol
- Monoisotopic mass
- 250.12050905
Overview
isolated from marine fungus Corollospora maritima; structure in first source
Names & identifiers
- Preferred name
- Corollosporine
- IUPAC
- 3-hexyl-3,7-dihydroxy-2-benzofuran-1-one
Names & synonyms
Corollosporine3-hexyl-3,7-dihydroxy-2-benzofuran-1-oneRefChem:9190633-Hexyl-3,7-dihydroxy-1(3H)-isobenzofuranone211441-46-2SCHEMBL30725592DTXSID809434663-hexyl-3,7-dihydroxy-2-benzofuran-1(3H)-one1(3H)-Isobenzofuranone, 3-hexyl-3,7-dihydroxy-
Database identifiers
- CAS
211441-46-2- PubChem CID
- 154159
- DTXSID
DTXSID80943466- Nikkaji
- J993.573H
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 304
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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