16-Acetyl-9-chloro-2,17-dimethylhexacyclo[9.8.0.02,8.03,5.012,17.014,16]nonadeca-7,9-dien-6-one
Basic information
- CAS
19291-69-1- Standard SMILES
CC(=O)C12CC1CC1C3C=C(Cl)C4=CC(=O)C5CC5C4(C)C3CCC12C- InChIKey
VUWYSFAIXUWQRQ-UHFFFAOYSA-N- Molecular formula
- C23H27ClO2
- Average molar mass
- 370.9 g/mol
- Monoisotopic mass
- 370.1699578
Names & identifiers
- Preferred name
- 16-Acetyl-9-chloro-2,17-dimethylhexacyclo[9.8.0.02,8.03,5.012,17.014,16]nonadeca-7,9-dien-6-one
- IUPAC
- 16-acetyl-9-chloro-2,17-dimethylhexacyclo[9.8.0.02,8.03,5.012,17.014,16]nonadeca-7,9-dien-6-one
- English name
- Gestaclone
- Molecular formula
- C23H27ClO2
- Molecular weight
- 370.91
Names & synonyms
orb2815619NS00126143T202087Gestaclone3H-Dicyclopropa[1,2:16,17]cyclopenta[a]phenanthren-3-one, 17-acetyl-6-chloro-1,2,8,9,10,11,12,13,14,15,16,17,20,21-tetradecahydro-10,13-dimethyl-, (1R,2S,8R,9R,10R,13R,14R,16R,17R)-rel-
Database identifiers
- CAS
19291-69-1- PubChem CID
- 29531
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 839
Physicochemical properties
- Boiling point
- 493.4 · 493.4±45.0 °C(predicted)
- Density
- 1.27 · 1.27±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)
- FDA UNII
- 4 K0SC8TFY · Q4K0SC8TFY
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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