Basic information
- Standard SMILES
C#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(OC5CCCC5)ccc4[C@H]3[C@H](OC)C[C@@]21C- InChIKey
HGCGQKFIZUXEEJ-QCVMBYIASA-N- Molecular formula
- C26H34O3
- Average molar mass
- 394.5 g/mol
- Monoisotopic mass
- 394.25079495
Names & identifiers
- Preferred name
- 11alpha-Methoxyquinestrol
- IUPAC
- (8S,9S,11R,13S,14S,17R)-3-cyclopentyloxy-17-ethynyl-11-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol
- English name
- 11 alpha-methoxyquinestrol
- Molecular formula
- C26H34O3
- Molecular weight
- 394.54636
Names & synonyms
11alpha-Methoxyquinestrol94514-09-7(8S,9S,11R,13S,14S,17R)-3-cyclopentyloxy-17-ethynyl-11-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-olDTXSID909154723-(Cyclopentyloxy)-11-methoxy-19-norpregna-1(10),2,4-trien-20-yn-17-ol3-(Cyclopentyloxy)-11alpha-methoxy-17alpha-19-norpregna-1(10),2,4-trien-20-yn-17-ol11 alpha-methoxyquinestrol
Database identifiers
- CAS
94514-09-7- PubChem CID
- 125170
- DTXSID
DTXSID90915472
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 660
Related reactions
0 records
No reaction records under the current filter.
Linked notes
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