Basic information
- Standard SMILES
C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C(CC=C(OC)C4)[C@H]3CC[C@@]21C- InChIKey
UILFSVGFYULIHK-MJCUULBUSA-N- Molecular formula
- C21H28O2
- Average molar mass
- 312.4 g/mol
Names & identifiers
- Preferred name
- 13-methyl-17alpha-ethynyl-3-methoxygona-2,5(10)-dien-17-Ol
- IUPAC
- (8R,9S,13S,14S,17R)-17-ethynyl-3-methoxy-13-methyl-4,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-ol
Names & synonyms
SCHEMBL11781895UILFSVGFYULIHK-MJCUULBUSA-N13-methyl-17alpha-ethynyl-3-methoxygona-2,5(10)-dien- 17-Ol
Database identifiers
- PubChem CID
- 86733826
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 633
Related reactions
1 records
Linked notes
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