Androst-5-ene-3,16-diyl diacetate
Basic information
- CAS
1474-62-0- Standard SMILES
CC(=O)O[C@@H]1C[C@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]2(C)C1- InChIKey
MXJJBDZZXUZFIX-YACACONYSA-N- Molecular formula
- C23H34O4
- Average molar mass
- 374.5 g/mol
- Monoisotopic mass
- 374.24570956
Names & identifiers
- Preferred name
- Androst-5-ene-3,16-diyl diacetate
- IUPAC
- [(3S,8S,9S,10R,13R,14S,16R)-16-acetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
Names & synonyms
1474-62-0Androst-5-ene-3,16-diyl diacetateDTXSID10933118NSC66732NSC-667323beta,16alpha-Androst-5-ene-3,16-diyl diacetate
Database identifiers
- CAS
1474-62-0- PubChem CID
- 248979
- DTXSID
DTXSID10933118
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 667
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…