Basic information
- Standard SMILES
C=C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21CC- InChIKey
KRSCIUQQTWXGEA-XUDSTZEESA-N- Molecular formula
- C21H30O2
- Average molar mass
- 314.5 g/mol
Names & identifiers
- Preferred name
- 13beta-Ethyl-17alpha-vinyl-17beta-hydroxy-gon-4-en-3-one
- IUPAC
- (8R,9S,10R,13S,14S,17R)-17-ethenyl-13-ethyl-17-hydroxy-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
Names & synonyms
SCHEMBL11861113KRSCIUQQTWXGEA-XUDSTZEESA-N13beta-Ethyl-17alpha-vinyl-17beta-hydroxy-gon-4-en-3-one13beta-Ethyl-17alpha -vinyl-17beta-hydroxy-gon-4-en-3-one
Database identifiers
- PubChem CID
- 68144430
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 562
Related reactions
2 records
Linked notes
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