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Basic information
- Standard SMILES
CCNC1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C- InChIKey
ULMJJEKBONMJLW-UHFFFAOYSA-N- Molecular formula
- C21H35NO
- Average molar mass
- 317.5 g/mol
- Monoisotopic mass
- 317.27186474
Names & identifiers
- Preferred name
- 17-(ethylamino)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
- IUPAC
- 17-(ethylamino)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Names & synonyms
NSC58798NCIOpen2_007971NSC-58798
Database identifiers
- PubChem CID
- 246166
Properties
Computed structural propertiesFilling in
- XLogP
- 4.2
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 500
Related reactions
0 records
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Compound notes
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