skip to main content

Chemistry, part 1

Content language

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

Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > citrinadin c
organooxygen compound > citrinadin c

Preferred term

citrinadin c  

Type

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

Broader concept

charge

  • 0

formula

  • C34H50N4O6

has_functional_parent

inchi

  • InChI=1S/C34H50N4O6/c1-18(2)24(35-8)28(40)43-21-13-19(3)38-17-32(36-9)16-33(31(6,7)34(32,42)15-20(38)14-21)23-12-10-11-22(25(23)37-29(33)41)26(39)27-30(4,5)44-27/h10-12,18-21,24,27,35-36,42H,13-17H2,1-9H3,(H,37,41)/t19-,20+,21+,24-,27+,32+,33-,34-/m0/s1

inchikey

  • QADGRUZLZSCZEY-HJQJXPTNSA-N

mass

  • 610.796

monoisotopicmass

  • 610.37304

smiles

  • O=C1NC=2C(C(=O)[C@H]3OC3(C)C)=CC=CC2[C@]14C([C@@]5(O)C[C@H]6C[C@H](OC(=O)[C@@H](NC)C(C)C)C[C@@H](N6C[C@@]5(C4)NC)C)(C)C

subset

  • 2_STAR

synonym EXACT

  • [(3R,3'aR,6'S,8'R,9'aR,10'aS)-7-[(2S)-3,3-dimethyloxirane-2-carbonyl]-10'a-hydroxy-1',1',6'-trimethyl-3'a-(methylamino)-2-oxospiro[1H-indole-3,2'-3,4,6,7,8,9,9a,10-octahydrocyclopenta[b]quinolizine]-8'-yl] (2S)-3-methyl-2-(methylamino)butanoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:198963

Download this concept:

RDF/XML TURTLE JSON-LD