Sinularone A
Basic information
- CAS
118628-94-7- Standard SMILES
C=C(C)[C@@H]1C/C=C(\C)CC/C=C(/C)CC/C=C(/C)CC1=O- InChIKey
FHFFESCITRPPTG-XECYNXTNSA-N- Molecular formula
- C20H30O
- Average molar mass
- 286.5 g/mol
- Monoisotopic mass
- 286.22966558
Names & identifiers
- Preferred name
- Sinularone A
- IUPAC
- (3Z,7Z,11E,14S)-3,7,11-trimethyl-14-prop-1-en-2-ylcyclotetradeca-3,7,11-trien-1-one
Names & synonyms
Sinularone A118628-94-73,7,11-Cyclotetradecatrien-1-one, 3,7,11-trimethyl-14-(1-methylethenyl)-, (S-(E,E,E))-
Database identifiers
- CAS
118628-94-7- PubChem CID
- 6443383
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 474
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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