Basic information
- Standard SMILES
C#CC1(O)CC[C@H]2[C@@H]3CCc4cc(OC5CCCC5)ccc4[C@H]3[C@H](O)C[C@@]21C- InChIKey
WYTTYNTUJWVURZ-OXFGLQLXSA-N- Molecular formula
- C25H32O3
- Average molar mass
- 380.5 g/mol
- Monoisotopic mass
- 380.23514488
Names & identifiers
- Preferred name
- 11alpha-Hydroxyquinestrol
- IUPAC
- (8S,9S,11R,13S,14S)-3-cyclopentyloxy-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-11,17-diol
- English name
- 11 alpha-hydroxyquinestrol
- Molecular formula
- C25H32O3
- Molecular weight
- 380.52
Names & synonyms
111102-94-411alpha-HydroxyquinestrolDTXSID409119893-(Cyclopentyloxy)-19-norpregna-1(10),2,4-trien-20-yne-11,17-diol(17xi)-3-(Cyclopentyloxy)-19-norpregna-1(10),2,4-trien-20-yne-11alpha,17-diol11 alpha-hydroxyquinestrol19-Norpregna-1,3,5(10)-trien-20-yne-11,17-diol, 3-(cyclopentyloxy)-, (11α,17α)- (9CI)
Database identifiers
- CAS
111102-94-4- PubChem CID
- 194889
- DTXSID
DTXSID40911989
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 49.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 645
Physicochemical properties
- Boiling point
- 540.4 · 540.4±50.0 °C(Predicted)
- Density
- 1.21 · 1.21±0.1 g/cm3(Predicted)
- pka
- 12.94 · 12.94±0.60(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Linked notes
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