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

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ChEBI Name 16α,17α-dihydroxyprogesterone acetophenide
ChEBI ID CHEBI:34168
ChEBI ASCII Name 16alpha,17alpha-dihydroxyprogesterone acetophenide
Definition A 20-oxo steroid that is the cyclic ketal resulting from the formal condensation of the hydroxy groups of algestone with acetophenone.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C29H36O4
Net Charge 0
Average Mass 448.59374
Monoisotopic Mass 448.26136
InChI InChI=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
InChIKey AHBKIEXBQNRDNL-BXXPAUNWSA-N
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)(O[C@@]12C(C)=O)c1ccccc1
ChEBI Ontology
Outgoing 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 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 acetophenide KEGG COMPOUND
Manual Xref Database
C14674 KEGG COMPOUND
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Registry Numbers Types Sources
1179-87-9 CAS Registry Number KEGG COMPOUND
15468901 Reaxys Registry Number Reaxys
Last Modified
19 October 2011