skip to main content

Chemistry, part 2

Content language

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

Concept information

... > chemical entity > molecular entity > ion > cation > organic cation > tertiary ammonium ion > solanidine(1+)

Preferred term

solanidine(1+)  

Type

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

Broader concept

charge

  • +1

formula

  • C27H44NO

inchi

  • InChI=1S/C27H43NO/c1-16-5-8-23-17(2)25-24(28(23)15-16)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h6,16-17,19-25,29H,5,7-15H2,1-4H3/p+1/t16-,17+,19-,20+,21-,22-,23+,24-,25-,26-,27-/m0/s1

inchikey

  • JVKYZPBMZPJNAJ-OQFNDJACSA-O

is_conjugate_acid_of

mass

  • 398.654

monoisotopicmass

  • 398.34174

smiles

  • [H][C@]12CC[C@H](C)C[NH+]1[C@@]1([H])C[C@@]3([H])[C@]4([H])CC=C5C[C@@H](O)CC[C@]5(C)[C@@]4([H])CC[C@]3(C)[C@@]1([H])[C@@H]2C

subset

  • 3_STAR

synonym EXACT

  • 3beta-hydroxysolanid-5-en-28-ium

synonym RELATED

  • solanidine
  • solanidine cation

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:166996

Download this concept:

RDF/XML TURTLE JSON-LD