Basic information
- Standard SMILES
CCCC(C)C(=O)OCC(=O)O[C@H]1[C@@H](CC)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C- InChIKey
LXLXULHFFGQLRV-DMUSWXNESA-N- Molecular formula
- C28H42O5
- Average molar mass
- 458.6 g/mol
Names & identifiers
- Preferred name
- 16beta-Ethyl-17beta-(2-methylvaleryl)oxyacetoxy-4-estren-3-one
- IUPAC
- [2-[[(8R,9S,10R,13S,14S,16S,17S)-16-ethyl-13-methyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy]-2-oxoethyl] 2-methylpentanoate
Names & synonyms
SCHEMBL10891843LXLXULHFFGQLRV-DMUSWXNESA-N16beta-Ethyl-17beta-(2-methylvaleryl)oxyacetoxy-4-estren-3-one
Database identifiers
- PubChem CID
- 70466930
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 69.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 800
Related reactions
1 records
Compound notes
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