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Concept information

... > organooxygen compound > carbonyl compound > ketone > cyclic ketone > 3-oxo steroid > 3-oxo-delta(4) steroid > 7alpha,12alpha-dihydroxycholest-4-en-3-one
... > organooxygen compound > carbonyl compound > ketone > oxo steroid > 3-oxo steroid > 3-oxo-delta(4) steroid > 7alpha,12alpha-dihydroxycholest-4-en-3-one

Preferred term

7alpha,12alpha-dihydroxycholest-4-en-3-one  

Type

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

alt_id

  • CHEBI:20797
  • CHEBI:2289

charge

  • 0

formula

  • C27H44O3

inchi

  • InChI=1S/C27H44O3/c1-16(2)7-6-8-17(3)20-9-10-21-25-22(15-24(30)27(20,21)5)26(4)12-11-19(28)13-18(26)14-23(25)29/h13,16-17,20-25,29-30H,6-12,14-15H2,1-5H3/t17-,20-,21+,22+,23-,24+,25+,26+,27-/m1/s1

inchikey

  • UQPYXHJTHPHOMM-NIBOIBLTSA-N

mass

  • 416.63646

monoisotopicmass

  • 416.32905

smiles

  • [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)CC4=CC(=O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CCCC(C)C

subset

  • 3_STAR

synonym EXACT

  • 7alpha,12alpha-dihydroxycholest-4-en-3-one
  • 7alpha,12alpha-Dihydroxycholest-4-en-3-one

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:28477

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