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Concept information

... > organooxygen compound > carbonyl compound > carboxylic acid > monocarboxylic acid > bile acids > bile acid > 5beta-cholane-3alpha,7alpha,23,24-tetrol

Preferred term

5beta-cholane-3alpha,7alpha,23,24-tetrol  

Type

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

Broader concept

charge

  • 0

formula

  • C24H42O4

inchi

  • InChI=1S/C24H42O4/c1-14(10-17(27)13-25)18-4-5-19-22-20(7-9-24(18,19)3)23(2)8-6-16(26)11-15(23)12-21(22)28/h14-22,25-28H,4-13H2,1-3H3/t14-,15+,16-,17?,18-,19+,20+,21-,22+,23+,24-/m1/s1

inchikey

  • KIBSVJDSQSAPPG-NJFYBWPLSA-N

mass

  • 394.596

monoisotopicmass

  • 394.30831

smiles

  • O[C@H]1[C@]2([C@]3([C@@]([C@](CC3)([C@@H](CC(O)CO)C)[H])(CC[C@@]2([C@@]4([C@](C1)(C[C@H](O)CC4)[H])C)[H])C)[H])[H]

subset

  • 2_STAR

synonym EXACT

  • (3R,5S,7R,8R,9S,10S,13R,14S,17R)-17-[(2R)-4,5-dihydroxypentan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:169769

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