Basic information
- CAS
17680-71-6- Standard SMILES
CC(=O)OC1CCC2C3CCC4C(=O)CCC4(C)C3CCC12C- InChIKey
ODZPFFYJBOHWIN-UHFFFAOYSA-N- Molecular formula
- C20H30O3
- Average molar mass
- 318.4 g/mol
- Monoisotopic mass
- 318.21949481
Names & identifiers
- Preferred name
- 8a,10a-Dimethyl-6-oxohexadecahydrodicyclopenta[a,f]naphthalen-1-yl acetate
- IUPAC
- (3a,5a-dimethyl-1-oxo-3,3b,4,5,6,7,8,8a,8b,9,10,10a-dodecahydro-2H-indeno[5,4-e]inden-6-yl) acetate
Names & synonyms
17680-71-68a,10a-dimethyl-6-oxohexadecahydrodicyclopenta[a,f]naphthalen-1-yl acetateNSC109714DTXSID70296519NSC-109714
Database identifiers
- CAS
17680-71-6- PubChem CID
- 269124
- DTXSID
DTXSID70296519
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 541
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…