Terminology Service for NFDI4Health
JSON

retuline

Go to external page http://purl.obolibrary.org/obo/CHEBI_142059

A monoterpenoid indole alkaloid with formula C21H26N2O2, isolated from several species of Strychnos.

Term info

Label

retuline

Synonyms
  • 1-[(15beta,16alpha,19E)-17-hydroxycur-19-en-1-yl]ethanone
database cross reference
Subsets

3_STAR

IUPAC NAME
1-[(15beta,16alpha,19E)-17-hydroxycur-19-en-1-yl]ethanone [ IUPAC ]

charge

0

formula

C21H26N2O2

has obo namespace

chebi_ontology

id

CHEBI:142059

inchi

InChI=1S/C21H26N2O2/c1-3-14-11-22-9-8-21-17-6-4-5-7-18(17)23(13(2)25)20(21)16(12-24)15(14)10-19(21)22/h3-7,15-16,19-20,24H,8-12H2,1-2H3/b14-3-/t15-,16-,19-,20-,21+/m0/s1

inchikey

IJTKEUDLEABZCZ-SEACFGBCSA-N

mass

338.444

monoisotopicmass

338.19943

smiles

OC[C@@H]1[C@@]2(N(C=3C([C@@]42[C@H]5N(CC4)C\C(\[C@@]1(C5)[H])=C\C)=CC=CC3)C(C)=O)[H]