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Molecule record

S-(fluoromethyl) (6S,8S,9R,10S,11S,13S,14S,16R,17R)-6,9-difluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17-carbothioate

C22H27F3O4S

444.51 g/mol

Loading structure

Molecular properties

Formula
C22H27F3O4S
Molar mass
444.51 g·mol−1
Exact mass
444.1582 Da
8
PubChem CID
5311101

Functional groups

Alcohol
Alkane / alkyl carbon
Alkene
Alkyl halide
Ketone
Sulfide

Physical properties

No source-backed physical properties are curated for this molecule yet.

Common names and synonyms

  • 90566-53-3
  • C22H27F3O4S
  • CHEBI:5134
  • CUT2W21N7U
  • DTXCID60820064
  • DTXSID0044022
  • Flunase
  • Fluticaps
Show all 24 synonyms
  • Fluticaps (TN)
  • Fluticasona
  • Fluticasona [Spanish]
  • Fluticasone (INN)
  • Fluticasone [INN:BAN]
  • Fluticasone, topical
  • Fluticasonum
  • Fluticasonum [Latin]
  • HFA, Flovent
  • HSDB 7740
  • Opn-375
  • Optinose
  • Propionate, Fluticasone
  • RefChem:55221
  • UNII-CUT2W21N7U
  • fluticasone

Structure identifiers

Canonical SMILES
C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)SCF
Isomeric SMILES
C[C@@H]1C[C@H]2[C@@H]3C[C@@H](C4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)SCF)O)C)O)F)C)F
InChI
InChI=1S/C22H27F3O4S/c1-11-6-13-14-8-16(24)15-7-12(26)4-5-19(15,2)21(14,25)17(27)9-20(13,3)22(11,29)18(28)30-10-23/h4-5,7,11,13-14,16-17,27,29H,6,8-10H2,1-3H3/t11-,13+,14+,16+,17+,19+,20+,21+,22+/m1/s1
InChIKey
MGNNYOODZCAHBA-GQKYHHCASA-N
PubChem CID
5311101

Spectroscopy

Tabs appear only for spectra stored with clear provenance.

Open library
No redistributable or simulated spectroscopy record is attached yet.

Simulated NMR

On-demand educational prediction for S-(fluoromethyl) (6S,8S,9R,10S,11S,13S,14S,16R,17R)-6,9-difluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17-carbothioate; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for S-(fluoromethyl) (6S,8S,9R,10S,11S,13S,14S,16R,17R)-6,9-difluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17-carbothioate; not experimental data.

Sources

Molecule identity

Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.

PubChem(link only)
Open source record