Basic information
- CAS
1165-27-1- Standard SMILES
CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CC=C4C[C@@H](Cl)CC[C@]4(C)[C@H]3CC[C@@]21C- InChIKey
VRDGNIDETSCLAU-TVWVXWENSA-N- Molecular formula
- C21H31ClO2
- Average molar mass
- 350.9 g/mol
- Monoisotopic mass
- 350.2012579
Names & identifiers
- Preferred name
- 1-[(3S,8R,9S,10R,13S,14S,17R)-3-chloro-17-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]ethanone
- IUPAC
- 1-[(3S,8R,9S,10R,13S,14S,17R)-3-chloro-17-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]ethanone
Names & synonyms
1165-27-1NSC63017DTXSID60922077NSC-630173-Chloro-17-hydroxypregn-5-en-20-one3beta-Chloro-17-hydroxypregn-5-en-20-one
Database identifiers
- CAS
1165-27-1- PubChem CID
- 247751
- DTXSID
DTXSID60922077
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 599
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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