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Concept information

... > organooxygen compound > carbonyl compound > ketone > cyclic ketone > 3-oxo steroid > 3-oxo-5beta-steroid > 7alpha,12alpha,26-trihydroxy-5beta-cholestan-3-one
... > organooxygen compound > carbonyl compound > ketone > oxo steroid > 3-oxo steroid > 3-oxo-5beta-steroid > 7alpha,12alpha,26-trihydroxy-5beta-cholestan-3-one

Preferred term

7alpha,12alpha,26-trihydroxy-5beta-cholestan-3-one  

Type

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

charge

  • 0

formula

  • C27H46O4

has_parent_hydride

inchi

  • InChI=1S/C27H46O4/c1-16(15-28)6-5-7-17(2)20-8-9-21-25-22(14-24(31)27(20,21)4)26(3)11-10-19(29)12-18(26)13-23(25)30/h16-18,20-25,28,30-31H,5-15H2,1-4H3/t16?,17-,18+,20-,21+,22+,23-,24+,25+,26+,27-/m1/s1

inchikey

  • UCVRZTRGVBWBPR-SSGCBCEYSA-N

mass

  • 434.65174

monoisotopicmass

  • 434.33961

smiles

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

subset

  • 3_STAR

synonym EXACT

  • 7alpha,12alpha,26-trihydroxy-5beta-cholestan-3-one

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:48834

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