5a-Ethenyl-4-hydroxy-3,9-dimethylideneoctahydro-2H-furo(2,3-f)(2)benzopyran-2,8(3H)-dione
Basic information
- CAS
59598-29-7- Standard SMILES
C=CC12COC(=O)C(=C)C1C1OC(=O)C(=C)C1C(O)C2- InChIKey
IFYQXAXVZGMFNW-UHFFFAOYSA-N- Molecular formula
- C15H16O5
- Average molar mass
- 276.28 g/mol
- Monoisotopic mass
- 276.09977361
Names & identifiers
- Preferred name
- 5a-Ethenyl-4-hydroxy-3,9-dimethylideneoctahydro-2H-furo(2,3-f)(2)benzopyran-2,8(3H)-dione
- IUPAC
- 5a-ethenyl-4-hydroxy-3,9-dimethylidene-3a,4,5,6,9a,9b-hexahydrofuro[2,3-f]isochromene-2,8-dione
Names & synonyms
DTXSID809750005a-Ethenyl-4-hydroxy-3,9-dimethylideneoctahydro-2H-furo[2,3-f][2]benzopyran-2,8(3H)-dione59598-29-75a-ethenyl-4-hydroxy-3,9-dimethylidene-3a,4,5,6,9a,9b-hexahydrofuro[2,3-f]isochromene-2,8-dione5a-Ethenyl-4-hydroxy-3,9-dimethylideneoctahydro-2H-furo(2,3-f)(2)benzopyran-2,8(3H)-dione5a-ethenyl-4-hydroxy-3,9-dimethylidene-3a,4,5,6,9a,9b-hexahydrofuro(2,3-f)isochromene-2,8-dioneRefChem:198996DTXCID20212704SCHEMBL2331516NSC106398
Database identifiers
- CAS
59598-29-7- PubChem CID
- 86763
- DTXSID
DTXSID80975000
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 72.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 548
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Compound notes
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