Basic information
- Standard SMILES
CC1=CCC[C@@]2(C)[C@H](c3ccco3)OC(=O)[C@H]3O[C@]132- InChIKey
DJLHZMCSQANWQQ-MYZSUADSSA-N- Molecular formula
- C15H16O4
- Average molar mass
- 260.28 g/mol
- Monoisotopic mass
- 260.10485899
Overview
(1aS,4R,4aS,8aS)-4-(furan-2-yl)-4a,8-dimethyl-1a,4,5,6-tetrahydrooxireno[2,3-d]isochromen-2-one has been reported in Dictamnus dasycarpus with data available.
Names & identifiers
- Preferred name
- (1aS,4R,4aS,8aS)-4-(furan-2-yl)-4a,8-dimethyl-1a,4,5,6-tetrahydrooxireno[2,3-d]isochromen-2-one
- IUPAC
- (1aS,4R,4aS,8aS)-4-(furan-2-yl)-4a,8-dimethyl-1a,4,5,6-tetrahydrooxireno[2,3-d]isochromen-2-one
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 52 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 471
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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