Pregn-4-ene-3,20-dione, 6,16-dimethyl-, (6alpha,16alpha)-
Basic information
- CAS
1816-78-0- Standard SMILES
CC(=O)[C@H]1[C@H](C)C[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C- InChIKey
KMGUZSMFRZSYPE-KATBZLDRSA-N- Molecular formula
- C23H34O2
- Average molar mass
- 342.5 g/mol
- Monoisotopic mass
- 342.25588032
Names & identifiers
- Preferred name
- Pregn-4-ene-3,20-dione, 6,16-dimethyl-, (6alpha,16alpha)-
- IUPAC
- (6S,8S,9S,10R,13S,14S,16R,17S)-17-acetyl-6,10,13,16-tetramethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
- English name
- 6alpha,16alpha-dimethylprogesterone
- Molecular formula
- C23H34O2
- Molecular weight
- 342.51
Names & synonyms
1816-78-0RR 27112NSC 806186-alpha,16-alpha-DimethylprogesteroneBRN 2627932Pregn-4-ene-3,20-dione, 6-alpha,16-alpha-dimethyl-Pregn-4-ene-3,20-dione, 6,16-dimethyl-, (6.alpha.,16.alpha.)-Pregn-4-ene-3,20-dione, 6,16-dimethyl-, (6alpha,16alpha)-RefChem:373787Pregn-4-ene-3,20-dione, 6,16-dimethyl-, (6alpha,16alpha)-(9CI)KMGUZSMFRZSYPE-KATBZLDRSA-N6alpha,16alpha-Dimethylprogesterone
Show more names
Pregn-4-ene-3,20-dione, 6,16-dimethyl-, (6α,16α)- (9CI)
RU 271126.alpha.,16.alpha.-Dimethylprogesterone6-alpha,16-alpha-Dimethylpregn-4-ene-3,20-dione6,16-Dimethylpregn-4-ene-3,20-dione #6alpha,16alpha-Dimethylpregn-4-ene-3,20-dione(6S,8S,9S,10R,13S,14S,16R,17S)-17-acetyl-6,10,13,16-tetramethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-onePregn-4-ene-3,20-dione, 6alpha,16alpha-dimethyl-Pregn-4-ene-3,20-dione, 6.alpha.,16.alpha.-dimethyl-
Database identifiers
- CAS
1816-78-0
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 646
Physicochemical properties
- Melting point
- 114 · 114-115 °C
- Boiling point
- 460.5 · 460.5±45.0 °C(Predicted)
- Density
- 1.06 · 1.06±0.1 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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