Basic information
- Standard SMILES
CC(=O)[C@@]1(OC(=O)CCl)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C- InChIKey
XNKAATDXXJUGPU-JZTHCNPZSA-N- Molecular formula
- C23H31ClO4
- Average molar mass
- 406.9 g/mol
Names & identifiers
- Preferred name
- 17alpha-Chloroacetoxy-pregn-4-ene-3,20-dione
- IUPAC
- [(8R,9S,10R,13S,14S,17R)-17-acetyl-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] 2-chloroacetate
Names & synonyms
SCHEMBL11510015XNKAATDXXJUGPU-JZTHCNPZSA-N17alpha-chloroacetoxy-pregn-4-ene-3,20-dione
Database identifiers
- PubChem CID
- 86736717
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 60.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 758
Related reactions
1 records
Compound notes
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