CHEBI:63843 - 17α-hydroxypregn-5-ene-3,20-dione

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ChEBI Name 17α-hydroxypregn-5-ene-3,20-dione ChEBI ID CHEBI:63843 ChEBI ASCII Name 17alpha-hydroxypregn-5-ene-3,20-dione Definition A C21-steroid that is pregnane which contains a double bond between positions 5 and 6 and is substituted by oxo groups at positions 3 and 20 as well as a hydroxy group at position 17. 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 C21H30O3 Net Charge 0 Average Mass 330.46110 Monoisotopic Mass 330.21949 InChI InChI=1S/C21H30O3/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/h4,16-18,24H,5-12H2,1-3H3/t16-,17+,18+,19+,20+,21+/m1/s1 InChIKey RCFJDVCRANOZEL-CEGNMAFCSA-N SMILES [H][C@@]12CC=C3CC(=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 17α-hydroxypregn-5-ene-3,20-dione (CHEBI:63843) has parent hydride pregnane (CHEBI:8386) 17α-hydroxypregn-5-ene-3,20-dione (CHEBI:63843) is a 17α-hydroxy steroid (CHEBI:35342) 17α-hydroxypregn-5-ene-3,20-dione (CHEBI:63843) is a 17α-hydroxy-C21-steroid (CHEBI:138141) 17α-hydroxypregn-5-ene-3,20-dione (CHEBI:63843) is a 20-oxo steroid (CHEBI:36885) 17α-hydroxypregn-5-ene-3,20-dione (CHEBI:63843) is a 3-oxo-Δ5-steroid (CHEBI:47907) 17α-hydroxypregn-5-ene-3,20-dione (CHEBI:63843) is a C21-steroid (CHEBI:61313) 17α-hydroxypregn-5-ene-3,20-dione (CHEBI:63843) is a tertiary α-hydroxy ketone (CHEBI:139592) IUPAC Name 17-hydroxypregn-5-ene-3,20-dione Synonyms Sources 17-Hydroxypregnenedione ChemIDplus pregn-5-ene-3,20-dione-17-ol ChEBI Registry Numbers Types Sources 3104241 Reaxys Registry Number Reaxys 641-80-5 CAS Registry Number ChemIDplus Last Modified 06 February 2018