(6alpha,11beta)-6,9-Difluoro-11,17,21-trihydroxypregna-1,4-diene-3,20-dione

(6S,8S,9R,10S,11S,13S,14S,17R)-6,9-difluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one

CAS: 806-29-1

Molecular Formula	`C21H26F2O5`
Molecular Weight	396.17484 g/mol
LogP	1.6
Topological Polar Surface Area	94.83 Å²
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	5
Rotatable Bonds	2
Exact Mass	396.17484
Heavy Atoms	28
Complexity	808.6

Chemical Identifiers

CAS Number	806-29-1
SMILES	`C[C@]12C[C@@H]([C@]3([C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)C[C@@H](C4=CC(=O)C=C[C@@]43C)F)F)O`

Product Overview

(6alpha,11beta)-6,9-Difluoro-11,17,21-trihydroxypregna-1,4-diene-3,20-dione (CAS 806-29-1), with molecular formula C21H26F2O5 and molecular weight 396.17484 g/mol. IUPAC: (6S,8S,9R,10S,11S,13S,14S,17R)-6,9-difluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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