CHEBI:79761 - 17β-hydroxy-2α,17-dimethylestr-4-en-3-one

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ChEBI Name 17β-hydroxy-2α,17-dimethylestr-4-en-3-one
ChEBI ID CHEBI:79761
ChEBI ASCII Name 17beta-hydroxy-2alpha,17-dimethylestr-4-en-3-one
Definition A 3-oxo Δ4-steroid that is estr-4-ene substituted by an oxo group at position 3, methyl groups at positions 2 and 17 and a β-hydroxy group at position 17.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C20H30O2
Net Charge 0
Average Mass 302.45100
Monoisotopic Mass 302.22458
InChI InChI=1S/C20H30O2/c1-12-10-16-13(11-18(12)21)4-5-15-14(16)6-8-19(2)17(15)7-9-20(19,3)22/h11-12,14-17,22H,4-10H2,1-3H3/t12-,14+,15-,16+,17+,19+,20+/m1/s1
InChIKey JQIGNJUHWXILBM-OHLKBTDQSA-N
SMILES C[C@@H]1C[C@@H]2[C@H]3CC[C@@]4(C)[C@@H](CC[C@]4(C)O)[C@@H]3CCC2=CC1=O
ChEBI Ontology
Outgoing 17β-hydroxy-2α,17-dimethylestr-4-en-3-one (CHEBI:79761) has parent hydride estrane (CHEBI:23966)
17β-hydroxy-2α,17-dimethylestr-4-en-3-one (CHEBI:79761) is a 17β-hydroxy steroid (CHEBI:35343)
17β-hydroxy-2α,17-dimethylestr-4-en-3-one (CHEBI:79761) is a 3-oxo-Δ4 steroid (CHEBI:47909)
IUPAC Name
17β-hydroxy-2α,17-dimethylestr-4-en-3-one
Synonym Source
2alpha,17-Dimethyl-19-nortestosterone KEGG COMPOUND
Manual Xref Database
C15259 KEGG COMPOUND
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Registry Numbers Types Sources
1093-99-8 CAS Registry Number ChemIDplus
6218773 Reaxys Registry Number Reaxys
Last Modified
03 March 2015