Basic information
- CAS
58769-88-3- Standard SMILES
CCC(=O)OC1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C- InChIKey
PDMMFKSKQVNJMI-UHFFFAOYSA-N- Molecular formula
- C22H32O3
- Average molar mass
- 344.5 g/mol
- Monoisotopic mass
- 344.23514488
Names & identifiers
- Preferred name
- (10,13-Dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl) propanoate
- IUPAC
- (10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl) propanoate
Names & synonyms
58769-88-3MFCD00003653ChemDiv1_020720Epitestosterone, propionateOprea1_796838CHEMBL297687SCHEMBL18438820HMS645N18PDMMFKSKQVNJMI-UHFFFAOYSA-NNSC98537NSC-985373-oxoandrost-4-en-17-yl propanoate
Show more names
AKOS001604287AKOS021988029CCG-248734NCGC00249617-01(10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl) propanoateLS-14967AA-504/0722601410,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-ylpropionate
Database identifiers
- CAS
58769-88-3- PubChem CID
- 5410
- ChEMBL
CHEMBL297687
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 621
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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