(5As)-3,5a,9-trimethyl-2-oxo-2,4,5,5a,6,7-hexahydronaphtho[1,2-b]furan-8-yl acetate
Basic information
- CAS
6308-44-7- Standard SMILES
CC(=O)OC1=C(C)C2=C3OC(=O)C(C)=C3CC[C@@]2(C)CC1- InChIKey
UVZIWNWWHZPYGX-KRWDZBQOSA-N- Molecular formula
- C17H20O4
- Average molar mass
- 288.34 g/mol
- Monoisotopic mass
- 288.13615911
Names & identifiers
- Preferred name
- (5As)-3,5a,9-trimethyl-2-oxo-2,4,5,5a,6,7-hexahydronaphtho[1,2-b]furan-8-yl acetate
- IUPAC
- [(5aS)-3,5a,9-trimethyl-2-oxo-4,5,6,7-tetrahydrobenzo[g][1]benzofuran-8-yl] acetate
Names & synonyms
NSC420376308-44-7EUDESMATRIENOLIDE, ACETATE(5as)-3,5a,9-trimethyl-2-oxo-2,4,5,5a,6,7-hexahydronaphtho[1,2-b]furan-8-yl acetateEudesmatrienolide, 3-hydroxy-CHEMBL4089397DTXSID50285481NSC-42037
Database identifiers
- CAS
6308-44-7- PubChem CID
- 237944
- DTXSID
DTXSID50285481- ChEMBL
CHEMBL4089397
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 648
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…