Dihydrocalodendrolide
Basic information
- CAS
126754-19-6- Standard SMILES
C[C@@H]1CCC[C@@]2(C)[C@H](c3ccoc3)OC(=O)[C@H]3O[C@]132- InChIKey
ZYUFTDUGLLEUGU-MYDLQGKQSA-N- Molecular formula
- C15H18O4
- Average molar mass
- 262.3 g/mol
- Monoisotopic mass
- 262.12050905
Names & identifiers
- Preferred name
- Dihydrocalodendrolide
- IUPAC
- (1aS,4S,4aS,8R,8aS)-4-(furan-3-yl)-4a,8-dimethyl-1a,4,5,6,7,8-hexahydrooxireno[2,3-d]isochromen-2-one
Names & synonyms
126754-19-6DihydrocalodendrolideDTXSID309256964-(Furan-3-yl)-4a,8-dimethylhexahydrooxireno[d][2]benzopyran-2(1aH)-one(1aS,4S,4aS,8R,8aS)-4-(Furan-3-yl)-4a,8-dimethylhexahydrooxireno[d][2]benzopyran-2(1aH)-one
Database identifiers
- CAS
126754-19-6- PubChem CID
- 180451
- DTXSID
DTXSID30925696
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 52 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 422
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Related reactions
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Compound notes
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