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Basic information
- CAS
633-38-5- Standard SMILES
COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](OCCF)CC[C@@H]12- InChIKey
DGIIPHVYWDBDOJ-MJCUULBUSA-N- Molecular formula
- C21H29FO2
- Average molar mass
- 332.5 g/mol
- Monoisotopic mass
- 332.21515833
Names & identifiers
- Preferred name
- (8R,9S,13S,14S,17S)-17-(2-fluoroethoxy)-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene
- IUPAC
- (8R,9S,13S,14S,17S)-17-(2-fluoroethoxy)-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene
Names & synonyms
NSC88524633-38-571611-27-3DTXSID60293310NSC-8852417beta-(2-Fluoroethoxy)-3-methoxyestra-1,3,5(10)-trieneA)-17-(2-fluoroethoxy)-3-methoxyestra-1,3,5(10)-triene
Database identifiers
- CAS
633-38-5、71611-27-3- PubChem CID
- 259028
- DTXSID
DTXSID60293310
Properties
Computed structural propertiesFilling in
- XLogP
- 3.9
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 442
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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