skip to main content

Content language

Contact us: CRM@email.irandoc.ac.ir

Concept information

... > organooxygen compound > carbonyl compound > carboxylic acid > monocarboxylic acid > bile acids > bile acid > 5alpha-cholestan-3beta,6alpha,8beta,15alpha,24s-triol

Preferred term

5alpha-cholestan-3beta,6alpha,8beta,15alpha,24s-triol  

Type

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

Broader concept

charge

  • 0

formula

  • C27H48O5

inchi

  • InChI=1S/C27H48O5/c1-15(2)20(29)7-6-16(3)18-13-21(30)24-26(18,5)11-9-23-25(4)10-8-17(28)12-19(25)22(31)14-27(23,24)32/h15-24,28-32H,6-14H2,1-5H3/t16-,17+,18-,19-,20+,21+,22+,23-,24-,25+,26-,27+/m1/s1

inchikey

  • SOWQHVUKEGVMMG-ZQPKGGOUSA-N

mass

  • 452.676

monoisotopicmass

  • 452.35017

smiles

  • O[C@]12[C@]3([C@@]([C@](C[C@@H]3O)([C@@H](CC[C@H](O)C(C)C)C)[H])(CC[C@@]1([C@@]4([C@@]([C@@H](O)C2)(C[C@@H](O)CC4)[H])C)[H])C)[H]

subset

  • 2_STAR

synonym EXACT

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

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:186098

Download this concept: