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
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Formula C21H30O3
Net Charge 0
Average Mass 330.46110
Monoisotopic Mass 330.219
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)
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
07 February 2012