[17-(2-Chloroacetyl)-10,13,16-trimethyl-3,11-dioxo-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propanoate
Basic information
- CAS
95796-51-3- Standard SMILES
CCC(=O)OC1(C(=O)CCl)C(C)CC2C3CCC4=CC(=O)C=CC4(C)C3C(=O)CC21C- InChIKey
NVQREPKDPWGEPO-UHFFFAOYSA-N- Molecular formula
- C25H31ClO5
- Average molar mass
- 447 g/mol
- Monoisotopic mass
- 446.1860018
Names & identifiers
- Preferred name
- [17-(2-Chloroacetyl)-10,13,16-trimethyl-3,11-dioxo-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propanoate
- IUPAC
- [17-(2-chloroacetyl)-10,13,16-trimethyl-3,11-dioxo-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propanoate
Database identifiers
- CAS
95796-51-3- PubChem CID
- 23277232
- DTXSID
DTXSID90875527
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 77.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 919
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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