[(2R,8R,9S,10R,13S,14S,17S)-2-acetyloxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate
Basic information
- CAS
21936-08-3- Standard SMILES
CC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)[C@H](OC(C)=O)C[C@]4(C)[C@H]3CC[C@]12C- InChIKey
XEXPFKWHLWMBQT-JZYPGELDSA-N- Molecular formula
- C23H32O5
- Average molar mass
- 388.5 g/mol
- Monoisotopic mass
- 388.22497412
Names & identifiers
- Preferred name
- [(2R,8R,9S,10R,13S,14S,17S)-2-acetyloxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate
- IUPAC
- [(2R,8R,9S,10R,13S,14S,17S)-2-acetyloxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate
- English name
- 2β,17β-Diacetoxyandrost-4-en-3-one
- Molecular formula
- C23H32O5
- Molecular weight
- 388.5
Names & synonyms
21936-08-32alpha-Hydroxytestosterone, diacetate[(2R,8R,9S,10R,13S,14S,17S)-2-acetyloxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate2a-Hydroxy Testosterone 2,17-Diacetate(2alpha,17beta)-2,17-Bis(acetyloxy)-androst-4-en-3-one; 2alpha,17beta-Diacetoxyandrost-4-en-3-one; NSC 97872.alpha.-Hydroxytestosterone, diacetateNSC9787NSC-97872beta,17beta-Diacetoxyandrost-4-en-3-oneAndrost-4-en-3-one,17-bis(acetyloxy)-, (2.alpha.,17.beta.)-2alpha-Hydroxy Testosterone 2,17-Diacetate (1.0mg/ml in Acetonitrile)NSC 9787
Show more names
XEXPFKWHLWMBQT-JZYPGELDSA-N2β,17β-Diacetoxyandrost-4-en-3-one2α-Hydroxy Testosterone 2,17-Diacetate2Alpha-Hydroxy Testosterone 2,17-Diacetate(2α,17β)-2,17-Bis(acetyloxy)-androst-4-en-3-oneAndrost-4-en-3-one, 2,17-bis(acetyloxy)-, (2α,17β)- (9CI)
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 69.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 739
Physicochemical properties
- Melting point
- 203 · 203-208 °C(Solv: ethyl ether (60-29-7); hexane (110-54-3))
- Boiling point
- 489.2 · 489.2±45.0 °C(Predicted)
- Density
- 1.17 · 1.17±0.1 g/cm3(Predicted)
- solubility
- soluble in Methanol
Chemistry & industry
Applications
UsesA protected metabolite of Testosterone (T155000) in human.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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