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CHEBI:49327 - algestone acetophenide

ChEBI IDCHEBI:49327
ChEBI Namealgestone acetophenide
Stars
Secondary ChEBI IDCHEBI:49321
Last Modified22 February 2017
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC29H36O4
Net Charge0
Average Mass448.603
Monoisotopic Mass448.26136
SMILES[H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])C[C@H]2O[C@@](C)(c3ccccc3)O[C@]21C(C)=O
InChIInChI=1S/C29H36O4/c1-18(30)29-25(32-28(4,33-29)19-8-6-5-7-9-19)17-24-22-11-10-20-16-21(31)12-14-26(20,2)23(22)13-15-27(24,29)3/h5-9,16,22-25H,10-15,17H2,1-4H3/t22-,23+,24+,25-,26+,27+,28-,29-/m1/s1
InChIKeyAHBKIEXBQNRDNL-FVCOMRFXSA-N
Roles Classification
Applications:
anti-inflammatory drug  A substance that reduces or suppresses inflammation.
synthetic oral contraceptive  An oral contraceptive which owes its effectiveness to synthetic preparation.
ChEBI Ontology
Outgoing Relation(s)
algestone acetophenide (CHEBI:49327) has role anti-inflammatory drug (CHEBI:35472)
algestone acetophenide (CHEBI:49327) has role synthetic oral contraceptive (CHEBI:49326)
algestone acetophenide (CHEBI:49327) is a 16α,17α-dihydroxyprogesterone acetophenide (CHEBI:34168)
IUPAC Name 
16α,17-[(1R)-1-phenylethane-1,1-diyldioxy]pregn-4-ene-3,20-dione
Synonym  Source
Alphasone acetophenideChemIDplus
Brand Name  Source
DeladroxoneKEGG DRUG
Manual XrefsDatabases
D02809KEGG DRUG
797DrugCentral
Registry NumbersSources
CAS:24356-94-3ChemIDplus