Einecs 216-892-1
Basic information
- CAS
1692-75-7- Standard SMILES
C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@]1(O)C(=O)C(O)CC(=O)O- InChIKey
BCDQDKXXRKAULM-DYRYXSSRSA-N- Molecular formula
- C24H33FO6
- Average molar mass
- 436.5 g/mol
- Monoisotopic mass
- 436.22611693
Names & identifiers
- Preferred name
- Einecs 216-892-1
- IUPAC
- 4-[(6S,8R,9S,10R,13S,14S,16R,17R)-6-fluoro-17-hydroxy-10,13,16-trimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-3-hydroxy-4-oxobutanoic acid
Names & synonyms
EINECS 216-892-16alpha-Fluoro-17,21-dihydroxy-16alpha-methylpregn-4-ene-3,20-dione21-acetate
Database identifiers
- CAS
1692-75-7- PubChem CID
- 6451306
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 853
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Compound notes
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