Basic information
- Standard SMILES
C#C[C@]1(O)C(=C)C[C@H]2[C@@H]3CC(=C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C- InChIKey
QRLUPYFKDQQPNG-IBVJIVQJSA-N- Molecular formula
- C23H28O2
- Average molar mass
- 336.5 g/mol
Names & identifiers
- Preferred name
- 17alpha-Ethynyl-17beta-hydroxy-6,16-dimethyleneandrosta-4-en-3-one
- IUPAC
- (8R,9S,10R,13S,14S,17R)-17-ethynyl-17-hydroxy-10,13-dimethyl-6,16-dimethylidene-2,7,8,9,11,12,14,15-octahydro-1H-cyclopenta[a]phenanthren-3-one
Names & synonyms
SCHEMBL10444758QRLUPYFKDQQPNG-IBVJIVQJSA-N17alpha-ethynyl-17beta-hydroxy-6,16-dimethyleneandrost-4-en-3-one17alpha-Ethynyl-17beta-hydroxy-6,16-dimethyleneandrosta-4-en-3-one
Database identifiers
- PubChem CID
- 13314929
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
- 25
- Formal charge
- 0
- Complexity
- 777
Related reactions
5 records
Compound notes
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