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CHEBI:49320 - algestone acetonide

ChEBI IDCHEBI:49320
ChEBI Namealgestone acetonide
Stars
DefinitionA cyclic ketal that is the 16α,17α-acetonide derivative of algestone.
Last Modified19 July 2011
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC24H34O4
Net Charge0
Average Mass386.532
Monoisotopic Mass386.24571
SMILES[H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])C[C@H]2OC(C)(C)O[C@]21C(C)=O
InChIInChI=1S/C24H34O4/c1-14(25)24-20(27-21(2,3)28-24)13-19-17-7-6-15-12-16(26)8-10-22(15,4)18(17)9-11-23(19,24)5/h12,17-20H,6-11,13H2,1-5H3/t17-,18+,19+,20-,22+,23+,24-/m1/s1
InChIKeyLSWBQIAZNGURQV-WTBIUSKOSA-N
Roles Classification
Application:
anti-inflammatory drug  A substance that reduces or suppresses inflammation.
ChEBI Ontology
Outgoing Relation(s)
algestone acetonide (CHEBI:49320) has functional parent algestone (CHEBI:763)
algestone acetonide (CHEBI:49320) has role anti-inflammatory drug (CHEBI:35472)
algestone acetonide (CHEBI:49320) is a 20-oxo steroid (CHEBI:36885)
algestone acetonide (CHEBI:49320) is a 3-oxo-Δ4 steroid (CHEBI:47909)
algestone acetonide (CHEBI:49320) is a cyclic ketal (CHEBI:59779)
IUPAC Name 
16α,17-(propane-2,2-diyldioxy)pregn-4-ene-3,20-dione
Synonyms  Source
16alpha,17alpha-IsopropylidenedioxyprogesteroneChemIDplus
16alpha,17-(Isopropylidenedioxy)progesteroneChemIDplus
Alphasone acetonideChemIDplus
Manual XrefsDatabases
D02808KEGG DRUG
Registry NumbersSources
Beilstein:50827Beilstein
CAS:4968-09-6ChemIDplus