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CHEBI:34168 - 16α,17α-dihydroxyprogesterone acetophenide

ChEBI IDCHEBI:34168
ChEBI Name16α,17α-dihydroxyprogesterone acetophenide
Stars
ASCII Name16alpha,17alpha-dihydroxyprogesterone acetophenide
DefinitionA 20-oxo steroid that is the cyclic ketal resulting from the formal condensation of the hydroxy groups of algestone with acetophenone.
Last Modified19 October 2011
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]2OC(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-BXXPAUNWSA-N
ChEBI Ontology
Outgoing Relation(s)
16α,17α-dihydroxyprogesterone acetophenide (CHEBI:34168) has functional parent algestone (CHEBI:763)
16α,17α-dihydroxyprogesterone acetophenide (CHEBI:34168) is a 20-oxo steroid (CHEBI:36885)
16α,17α-dihydroxyprogesterone acetophenide (CHEBI:34168) is a 3-oxo-Δ4 steroid (CHEBI:47909)
16α,17α-dihydroxyprogesterone acetophenide (CHEBI:34168) is a cyclic ketal (CHEBI:59779)
Incoming Relation(s)
algestone acetophenide (CHEBI:49327) is a 16α,17α-dihydroxyprogesterone acetophenide (CHEBI:34168)
IUPAC Name 
16α,17-(1-phenylethane-1,1-diyldioxy)pregn-4-ene-3,20-dione
Synonym  Source
16alpha,17alpha-Dihydroxyprogesterone acetophenideKEGG COMPOUND
Manual XrefsDatabases
C14674KEGG COMPOUND
Registry NumbersSources
Reaxys:15468901Reaxys
CAS:1179-87-9KEGG COMPOUND