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Concept information

... > organooxygen compound > carbonyl compound > carboxylic acid > monocarboxylic acid > bile acids > bile acid > 24-methylene-cholest-5-en-3beta,17alpha,22s-triol

Preferred term

24-methylene-cholest-5-en-3beta,17alpha,22s-triol  

Type

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

Broader concept

charge

  • 0

formula

  • C28H46O3

inchi

  • InChI=1S/C28H46O3/c1-17(2)18(3)15-25(30)19(4)28(31)14-11-24-22-8-7-20-16-21(29)9-12-26(20,5)23(22)10-13-27(24,28)6/h7,17,19,21-25,29-31H,3,8-16H2,1-2,4-6H3/t19-,21+,22-,23+,24+,25+,26+,27+,28+/m1/s1

inchikey

  • KBTPEFUFGHDLIZ-VKIAQROPSA-N

mass

  • 430.673

monoisotopicmass

  • 430.34470

smiles

  • O[C@]1([C@@]2([C@]([C@]3([C@@]([C@@]4(C(=CC3)C[C@@H](O)CC4)C)(CC2)[H])[H])(CC1)[H])C)[C@@H]([C@@H](O)CC(C(C)C)=C)C

subset

  • 2_STAR

synonym EXACT

  • (3S,8R,9S,10R,13S,14S,17S)-17-[(2R,3S)-3-hydroxy-6-methyl-5-methylideneheptan-2-yl]-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-diol

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:187081

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