skip to main content

Content language

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

Concept information

Preferred term

dinorhyocholic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C22H36O5

inchi

  • InChI=1S/C22H36O5/c1-11(20(26)27)13-4-5-14-17-15(7-9-21(13,14)2)22(3)8-6-12(23)10-16(22)18(24)19(17)25/h11-19,23-25H,4-10H2,1-3H3,(H,26,27)/t11-,12+,13+,14-,15-,16-,17-,18+,19-,21+,22+/m0/s1

inchikey

  • SNROUEKOYOUQNB-QETHTJRKSA-N

mass

  • 380.525

monoisotopicmass

  • 380.25627

smiles

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

subset

  • 2_STAR

synonym EXACT

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

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:186094

Download this concept: