Basic information
- Standard SMILES
C#C[C@]1(O)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@@]21C- InChIKey
CHNCOWAQCQWPJQ-NXLYOCQZSA-N- Molecular formula
- C22H26O2
- Average molar mass
- 322.4 g/mol
Names & identifiers
- Preferred name
- 17alpha-Ethynyl-17beta-hydroxy-16beta-methylandrosta-1,4,9(11)-trien-3-one
- IUPAC
- (8S,10S,13S,14S,16S,17R)-17-ethynyl-17-hydroxy-10,13,16-trimethyl-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-3-one
Names & synonyms
98574-03-9SCHEMBL8755264CHNCOWAQCQWPJQ-NXLYOCQZSA-N17alpha-Ethynyl-17beta-hydroxy-16beta-methylandrosta-1,4,9(11)-trien-3-one
Database identifiers
- PubChem CID
- 86740176
Properties
Computed structural properties
- XLogP
- 3.1
- 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
- 760
Related reactions
3 records
Compound notes
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