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Concept information

... > organooxygen compound > carbonyl compound > carboxylic acid > monocarboxylic acid > bile acids > bile acid > 3 alpha,7 alpha,26-trihydroxy-5beta-cholestane

Preferred term

3 alpha,7 alpha,26-trihydroxy-5beta-cholestane  

Type

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

Broader concept

charge

  • 0

formula

  • C27H48O3

inchi

  • InChI=1S/C27H48O3/c1-17(16-28)6-5-7-18(2)21-8-9-22-25-23(11-13-27(21,22)4)26(3)12-10-20(29)14-19(26)15-24(25)30/h17-25,28-30H,5-16H2,1-4H3/t17?,18-,19?,20-,21?,22?,23?,24?,25?,26+,27-/m1/s1

inchikey

  • OQIJRBFRXGIHMI-QMBRLOSJSA-N

mass

  • 420.678

monoisotopicmass

  • 420.36035

smiles

  • OC1C2C3[C@@](C(CC3)[C@@H](CCCC(CO)C)C)(CCC2[C@@]4(C(C1)C[C@H](O)CC4)C)C

subset

  • 2_STAR

synonym EXACT

  • (3R,7R,10S,13R)-17-[(2R)-7-hydroxy-6-methylheptan-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:171981

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