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Concept information

... > organooxygen compound > carbonyl compound > ketone > alpha,beta-unsaturated ketone > enone > 3-oxo-delta(4) steroid > 17beta-hydroxy-2alpha,17-dimethylestr-4-en-3-one
... > organooxygen compound > carbonyl compound > ketone > cyclic ketone > 3-oxo steroid > 3-oxo-delta(4) steroid > 17beta-hydroxy-2alpha,17-dimethylestr-4-en-3-one
... > organooxygen compound > carbonyl compound > ketone > oxo steroid > 3-oxo steroid > 3-oxo-delta(4) steroid > 17beta-hydroxy-2alpha,17-dimethylestr-4-en-3-one

Preferred term

17beta-hydroxy-2alpha,17-dimethylestr-4-en-3-one  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

charge

  • 0

formula

  • C20H30O2

has_parent_hydride

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

mass

  • 302.45100

monoisotopicmass

  • 302.22458

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

subset

  • 3_STAR

synonym EXACT

  • 17beta-hydroxy-2alpha,17-dimethylestr-4-en-3-one

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:79761

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