Basic information
- Standard SMILES
C#C[C@]1(O)CC[C@H]2[C@@H]3CC=C4C=C(O)CC[C@@H]4[C@H]3CC[C@@]21CC- InChIKey
RAIHCDDCKBNNFH-XUDSTZEESA-N- Molecular formula
- C21H28O2
- Average molar mass
- 312.4 g/mol
Names & identifiers
- Preferred name
- 13-Ethyl-17alpha-ethynyl-3,17-dihydroxygona-3,5-diene
- IUPAC
- (8R,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-2,7,8,9,10,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-diol
Names & synonyms
SCHEMBL11861828RAIHCDDCKBNNFH-XUDSTZEESA-N13-ethyl-17alpha-ethynyl-3,17-dihydroxygona-3,5-diene
Database identifiers
- PubChem CID
- 86733490
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 621
Related reactions
2 records
Compound notes
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