3-(Dimethylamino)-16-hydroxy-14-methyl-4-methylidene-9,19-cyclopregnan-20-one
Basic information
- CAS
3296-11-5- Standard SMILES
C=C1[C@@H](N(C)C)CCC23CC24CC[C@]2(C)[C@@H](C(C)=O)[C@H](O)CC2(C)[C@@H]4CC[C@@H]13- InChIKey
GNRVDDAXIDKEFJ-QASJIEDTSA-N- Molecular formula
- C25H39NO2
- Average molar mass
- 385.6 g/mol
- Monoisotopic mass
- 385.29807949
Names & identifiers
- Preferred name
- 3-(Dimethylamino)-16-hydroxy-14-methyl-4-methylidene-9,19-cyclopregnan-20-one
- IUPAC
- 1-[(6S,8R,11S,14R,15R,16R)-6-(dimethylamino)-14-hydroxy-12,16-dimethyl-7-methylidene-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]ethanone
Names & synonyms
DTXSID509546053-(Dimethylamino)-16-hydroxy-14-methyl-4-methylidene-9,19-cyclopregnan-20-one(9xi,10xi,14xi)-3beta-(Dimethylamino)-16alpha-hydroxy-14-methyl-4-methylidene-5alpha-9,19-cyclopregnan-20-one
Database identifiers
- CAS
3296-11-5- PubChem CID
- 193374
- DTXSID
DTXSID50954605
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 745
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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