CHEBI:36726 - 17,20-dihydroxypregn-4-en-3-one

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ChEBI Name 17,20-dihydroxypregn-4-en-3-one ChEBI ID CHEBI:36726 Definition A C21-steroid that is pregnane which contains a double bond between positions 4 and 5 and is substituted by an oxo group at position 3 and by hydroxy groups at the 17α and 20 positions. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C21H32O3 Net Charge 0 Average Mass 332.47698 Monoisotopic Mass 332.23514 InChI InChI=1S/C21H32O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h12-13,16-18,22,24H,4-11H2,1-3H3/t13?,16-,17+,18+,19+,20+,21+/m1/s1 InChIKey MASCESDECGBIBB-JAKCRWNRSA-N SMILES [H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@]1(O)C(C)O ChEBI Ontology Outgoing 17,20-dihydroxypregn-4-en-3-one (CHEBI:36726) has parent hydride pregnane (CHEBI:8386) 17,20-dihydroxypregn-4-en-3-one (CHEBI:36726) is a 17α-hydroxy steroid (CHEBI:35342) 17,20-dihydroxypregn-4-en-3-one (CHEBI:36726) is a 20-hydroxy steroid (CHEBI:36854) 17,20-dihydroxypregn-4-en-3-one (CHEBI:36726) is a 3-oxo-Δ4 steroid (CHEBI:47909) 17,20-dihydroxypregn-4-en-3-one (CHEBI:36726) is a C21-steroid (CHEBI:61313) Incoming (20R)-17,20-dihydroxypregn-4-en-3-one (CHEBI:36723) is a 17,20-dihydroxypregn-4-en-3-one (CHEBI:36726) (20S)-17,20-dihydroxypregn-4-en-3-one (CHEBI:16418) is a 17,20-dihydroxypregn-4-en-3-one (CHEBI:36726) IUPAC Name 17,20-dihydroxypregn-4-en-3-one Synonym Source 17α,20-dihydroxypregn-4-en-3-one UniProt Registry Numbers Types Sources 5083960 Reaxys Registry Number Reaxys 5083960 Beilstein Registry Number Beilstein Last Modified 12 January 2022