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Concept information

... > organooxygen compound > carbonyl compound > ketone > alpha,beta-unsaturated ketone > enone > 3-oxo-delta(4) steroid > 7alpha,12alpha,24-trihydroxycholest-4-en-3-one
... > organooxygen compound > carbonyl compound > ketone > cyclic ketone > 3-oxo steroid > 3-oxo-delta(4) steroid > 7alpha,12alpha,24-trihydroxycholest-4-en-3-one
... > organooxygen compound > carbonyl compound > ketone > oxo steroid > 3-oxo steroid > 3-oxo-delta(4) steroid > 7alpha,12alpha,24-trihydroxycholest-4-en-3-one

Preferred term

7alpha,12alpha,24-trihydroxycholest-4-en-3-one  

Type

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

charge

  • 0

formula

  • C27H44O4

inchi

  • InChI=1S/C27H44O4/c1-15(2)22(29)9-6-16(3)19-7-8-20-25-21(14-24(31)27(19,20)5)26(4)11-10-18(28)12-17(26)13-23(25)30/h12,15-16,19-25,29-31H,6-11,13-14H2,1-5H3/t16-,19-,20+,21+,22?,23-,24+,25+,26+,27-/m1/s1

inchikey

  • JZKUXZQOULZTIJ-GZQVFMGISA-N

mass

  • 432.63586

monoisotopicmass

  • 432.32396

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)CCC(O)C(C)C

subset

  • 3_STAR

synonym EXACT

  • 7alpha,12alpha,24-trihydroxycholest-4-en-3-one

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:48714

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