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Concept information

... > organooxygen compound > carbonyl compound > ketone > cyclic ketone > 3-oxo steroid > 3-oxo-5beta-steroid > 7alpha,12alpha-dihydroxy-5beta-cholestan-3-one
... > organooxygen compound > carbonyl compound > ketone > oxo steroid > 3-oxo steroid > 3-oxo-5beta-steroid > 7alpha,12alpha-dihydroxy-5beta-cholestan-3-one

Preferred term

7alpha,12alpha-dihydroxy-5beta-cholestan-3-one  

Type

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

charge

  • 0

formula

  • C27H46O3

has_parent_hydride

inchi

  • InChI=1S/C27H46O3/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/h16-18,20-25,29-30H,6-15H2,1-5H3/t17-,18+,20-,21+,22+,23-,24+,25+,26+,27-/m1/s1

inchikey

  • HHVQPBXBALLUDF-QORHGLQKSA-N

mass

  • 418.65234

monoisotopicmass

  • 418.34470

smiles

  • [H][C@]12C[C@@H](O)[C@@]3([H])[C@]4([H])CC[C@]([H])([C@H](C)CCCC(C)C)[C@@]4(C)[C@@H](O)C[C@]3([H])[C@@]1(C)CCC(=O)C2

subset

  • 3_STAR

synonym EXACT

  • 7alpha,12alpha-Dihydroxy-5beta-cholestan-3-one
  • 7alpha,12alpha-dihydroxy-5beta-cholestan-3-one

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:2288

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