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Concept information

... > organooxygen compound > carbonyl compound > carboxylic acid > monocarboxylic acid > bile acids > bile acid > 24-nor-5beta-cholane-3alpha,7alpha,12alpha,22,23-pentol

Preferred term

24-nor-5beta-cholane-3alpha,7alpha,12alpha,22,23-pentol  

Type

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

Broader concept

charge

  • 0

formula

  • C23H40O5

inchi

  • InChI=1S/C23H40O5/c1-12(19(27)11-24)15-4-5-16-21-17(10-20(28)23(15,16)3)22(2)7-6-14(25)8-13(22)9-18(21)26/h12-21,24-28H,4-11H2,1-3H3/t12-,13-,14+,15+,16-,17-,18+,19?,20-,21-,22-,23+/m0/s1

inchikey

  • UHRXWDYIMNNWLV-YORLSYTHSA-N

mass

  • 396.568

monoisotopicmass

  • 396.28757

smiles

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

subset

  • 2_STAR

synonym EXACT

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

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:191265

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