Basic information
- CAS
4731-15-1- Standard SMILES
CC(=O)OC1CCC2(C)C(CCC3C4CCC(=O)C4(C)CC(=O)C32)C1- InChIKey
VEIFMBQHUYNEPN-UHFFFAOYSA-N- Molecular formula
- C21H30O4
- Average molar mass
- 346.5 g/mol
- Monoisotopic mass
- 346.21440943
Names & identifiers
- Preferred name
- 11,17-Dioxoandrostan-3-yl acetate
- IUPAC
- (10,13-dimethyl-11,17-dioxo-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl) acetate
Names & synonyms
11,17-dioxoandrostan-3-yl acetate4731-15-1NSC119084DTXSID40963802NSC-119084
Database identifiers
- CAS
4731-15-1- PubChem CID
- 273699
- DTXSID
DTXSID40963802
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 60.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 625
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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