ChemArche
Sign inAccount

Molecule record

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

C22H29ClO5

408.92 g/mol

Loading structure

Molecular properties

Formula
C22H29ClO5
Molar mass
408.92 g·mol−1
Exact mass
408.1703 Da
8
PubChem CID
20469

Functional groups

Alcohol
Alkane / alkyl carbon
Alkene
Alkyl halide
Ketone

Physical properties

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

Common names and synonyms

  • (11beta,16beta)-9-chloro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione
  • 224-585-9
  • 4419-39-0
  • 9-Chloro-11beta,17,21-trihydroxy-16beta-methylpregna-1,4-diene-3,20-dione
  • A07EA07
  • Ascocortonyl
  • BMJ 5800
  • Beclometason
Show all 24 synonyms
  • Beclometasona
  • Beclometasone
  • Beclometasone [INN]
  • Beclometasonum
  • Becodisk
  • CHEBI:3001
  • D07AC15
  • DTXCID3020750
  • DTXSID5040750
  • Junik
  • KGZ1SLC28Z
  • R01AD01
  • R03BA01
  • RefChem:54431
  • Viarin
  • beclomethasone

Structure identifiers

Canonical SMILES
C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO
Isomeric SMILES
C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)CO)O)C)O)Cl)C
InChI
InChI=1S/C22H29ClO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15-,16-,17-,19-,20-,21-,22-/m0/s1
InChIKey
NBMKJKDGKREAPL-DVTGEIKXSA-N
PubChem CID
20469

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 (8S,9R,10S,11S,13S,14S,16S,17R)-9-chloro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for (8S,9R,10S,11S,13S,14S,16S,17R)-9-chloro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one; 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