9,13-Dimethyl-7-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-17-ene-6,16-dione
Basic information
- CAS
10459-00-4- Standard SMILES
CC12CCC(=O)C=C1CCC1C2CCC2(C)C1CC1CC(=O)OC12- InChIKey
ZUHOXBZCDCJTEG-UHFFFAOYSA-N- Molecular formula
- C21H28O3
- Average molar mass
- 328.4 g/mol
- Monoisotopic mass
- 328.20384475
Names & identifiers
- Preferred name
- 9,13-Dimethyl-7-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-17-ene-6,16-dione
- IUPAC
- 9,13-dimethyl-7-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-17-ene-6,16-dione
Names & synonyms
NSC52557010459-00-4DTXSID90326226NSC-5255704a,6a-Dimethyl-4,4a,4b,5,6,6a,6b,9,9a,10,10a,10b,11,12-tetradecahydro-2H-naphtho[2',1':4,5]indeno[1,2-b]furan-2,8(3H)-dione
Database identifiers
- CAS
10459-00-4- PubChem CID
- 352252
- DTXSID
DTXSID90326226
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 649
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…