9-Fluoro-11,16,17-trihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
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Basic information
- Standard SMILES
CC12CCC(=O)C=C1CCC1C3CC(O)C(O)(C(=O)CO)C3(C)CC(O)C12F- InChIKey
SXQQMCLQCSKJNC-UHFFFAOYSA-N- Molecular formula
- C21H29FO6
- Average molar mass
- 396.4 g/mol
Names & identifiers
- Preferred name
- 9-Fluoro-11,16,17-trihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
- IUPAC
- 9-fluoro-11,16,17-trihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
Names & synonyms
MLS002638823SKI 24481CHEMBL1728746HMS3086J09SMR001548287
Database identifiers
- PubChem CID
- 95573
- ChEMBL
CHEMBL1728746
Properties
Computed structural propertiesFilling in
- XLogP
- 1
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 766
Related reactions
2 records
Compound notes
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