Basic information
- CAS
41787-72-8- Standard SMILES
CC(C)c1oc(=O)cc2c1CC1OC(=O)[C@@]3(C)[C@@H](O)[C@@H]4O[C@@H]4[C@@]2(C)[C@@H]13- InChIKey
WXJASYTWXBVSQZ-ZGCHELHOSA-N- Molecular formula
- C19H22O6
- Average molar mass
- 346.4 g/mol
- Monoisotopic mass
- 346.14163842
Overview
norditerpene lactone isolated from Podocarpus hallii Kirk with potential activity against development in the housefly; structure
Names & identifiers
- Preferred name
- Hallolactone A
- IUPAC
- (1S,2R,4S,5R,6R,17R)-5-hydroxy-1,6-dimethyl-12-propan-2-yl-3,8,13-trioxapentacyclo[7.7.1.02,4.06,17.011,16]heptadeca-11,15-diene-7,14-dione
Names & synonyms
Hallolactone ARefChem:14508141787-72-8Podolactone B, 7,8-deepoxy-8,14-didehydro-15,16-dideoxy-, (1alpha,2alpha)-(1S,2R,4S,5R,6R,17R)-5-hydroxy-1,6-dimethyl-12-propan-2-yl-3,8,13-trioxapentacyclo[7.7.1.02,4.06,17.011,16]heptadeca-11,15-diene-7,14-dione
Database identifiers
- CAS
41787-72-8- PubChem CID
- 3084841
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 85.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 779
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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