Dihydromikanolide
Basic information
- CAS
23758-04-5- Standard SMILES
C[C@H]1C(=O)O[C@H]2C[C@]3(C)O[C@H]3[C@@H]3O[C@@H]3C3=C[C@@H](OC3=O)[C@@H]21- InChIKey
UOQXZMNXWXQCJU-XMOWUHPBSA-N- Molecular formula
- C15H16O6
- Average molar mass
- 292.28 g/mol
- Monoisotopic mass
- 292.09468823
Overview
Dihydromikanolide is a gamma-lactone.
Names & identifiers
- Preferred name
- Dihydromikanolide
- IUPAC
- (2R,4R,5S,7S,9S,12R,13R,14R)-7,12-dimethyl-3,6,10,15-tetraoxapentacyclo[12.2.1.02,4.05,7.09,13]heptadec-1(17)-ene-11,16-dione
- English name
- Dihydromikanolide
- Molecular formula
- C15H16O6
- Molecular weight
- 292.28
Names & synonyms
Dihydromikanolide23758-04-5(2R,4R,5S,7S,9S,12R,13R,14R)-7,12-dimethyl-3,6,10,15-tetraoxapentacyclo[12.2.1.02,4.05,7.09,13]heptadec-1(17)-ene-11,16-dione(1aS,1bR,2aR,6R,6aR,7R,9aS,10aS)-1a,1b,2a,6a,7,9a,10,10a-Octahydro-7,10a-dimethyl-4H-6,3-methenofuro[3,2-c]bisoxireno[f,h]oxacycloundecin-4,8(6H)-dioneC09397CHEMBL554278CHEBI:4574SCHEMBL28050365DTXSID80331768UOQXZMNXWXQCJU-XMOWUHPBSA-NH63641Q27106412
Show more names
(1aS,1bR,2aR,6R,6aR,7R,9aS,10aS)-1a,1b,2a,6,6a,7,8,9a,10,10a-Decahydro-7,10a-dimethyl-4H-6,3-methenofuro[3,2-c]bisoxireno[f,h]oxacycloundecin-4,8-dione4H-6,3-Methenofuro[3,2-c]bisoxireno[f,h]oxacycloundecin-4,8(6H)-dione, 1a,1b,2a,6a,7,9a,10,10a-octahydro-7,10a-dimethyl-, (1aS,1bR,2aR,6R,6aR,7R,9aS,10aS)-
(1aS,1bR,2aR,6R,6aR,7R,9aS,10aS)-7,10a-Dimethyloctahydro-4H-6,3-(metheno)furo[3,2-c]bisoxireno[f,h]oxacycloundecine-4,8(6H)-dione
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 77.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 597
Physicochemical properties
- Melting point
- 240 · 240-244 °C
- Boiling point
- 569.9 · 569.9±50.0 °C(Predicted)
- Density
- 1.47 · 1.47±0.1 g/cm3(Predicted)
Chemistry & industry
Applications
UsesDihydromikanolide is a natural product[1].
Additional notes
DefinitionChEBI: Dihydromikanolide is a gamma-lactone.
Related reactions
2 records
Compound notes
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