skip to main content

Content language

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

Concept information

Preferred term

(5e,7e)-(3s,22r)- 24-nor-9,10-seco-5,7,10(19)-cholatriene-3,22-diol  

Type

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

Broader concept

charge

  • 0

formula

  • C23H36O2

inchi

  • InChI=1S/C23H36O2/c1-15-7-10-20(25)14-19(15)9-8-18-6-5-13-23(4)21(11-12-22(18)23)16(2)17(3)24/h8-9,16-17,20-22,24-25H,1,5-7,10-14H2,2-4H3/b18-8+,19-9+/t16-,17-,20+,21-,22+,23-/m1/s1

inchikey

  • HPIRTWXNAZXKAX-BOJQAXGBSA-N

mass

  • 344.539

monoisotopicmass

  • 344.27153

smiles

  • O[C@@H]([C@H]([C@@]1([C@@]2([C@@](CC1)(/C(/CCC2)=C/C=C/3/C[C@@H](O)CCC3=C)[H])C)[H])C)C

subset

  • 2_STAR

synonym EXACT

  • (1S,3E)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(2S,3R)-3-hydroxybutan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:173059

Download this concept: