Basic information
- CAS
56326-25-1- Standard SMILES
C=C1C(=O)OC2(C)CCC1CC1OC1(C)CC/C=C(/C)CCC2O- InChIKey
FONRUOAYELOHDC-MLPAPPSSSA-N- Molecular formula
- C20H30O4
- Average molar mass
- 334.4 g/mol
- Monoisotopic mass
- 334.21440943
Names & identifiers
- Preferred name
- 12-Hydroxy-5,9,13-trimethyl-16-methylene-4,14-dioxatricyclo(11.3.2.0(3,5))octadec-8-en-15-one
- IUPAC
- (8Z)-12-hydroxy-5,9,13-trimethyl-16-methylidene-4,14-dioxatricyclo[11.3.2.03,5]octadec-8-en-15-one
Names & synonyms
NSC 285705NSC28570512-Hydroxy-5,9,13-trimethyl-16-methylene-4,14-dioxatricyclo(11.3.2.0(3,5))octadec-8-en-15-oneCHEMBL19797904,14-Dioxatricyclo[11.3.2.03,5]octadec-8-en-15-one, 12-hydroxy-5,9,13-trimethyl-16-methylene-, [1R-(1R*,3S*,5S*,8E,12S*,13R*)]-
Database identifiers
- CAS
56326-25-1- PubChem CID
- 5458570
- ChEMBL
CHEMBL1979790
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 59.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 566
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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