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Concept information

Preferred term

9-bromo-11beta-hydroxy-16alpha-methylpregn-4-ene-3,20-dione  

Type

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

Broader concept

charge

  • 0

formula

  • C22H31BrO3

inchi

  • InChI=1S/C22H31BrO3/c1-12-9-17-16-6-5-14-10-15(25)7-8-21(14,4)22(16,23)18(26)11-20(17,3)19(12)13(2)24/h10,12,16-19,26H,5-9,11H2,1-4H3/t12-,16+,17+,18+,19-,20+,21+,22+/m1/s1

inchikey

  • SQLIUCAXJYQFID-GAYBOGBZSA-N

mass

  • 423.38400

monoisotopicmass

  • 422.14566

smiles

  • C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(Br)[C@@H](O)C[C@]2(C)[C@H]1C(C)=O

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:79673

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