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karakoline

Go to external page http://purl.obolibrary.org/obo/CHEBI_6113

An organonitrogen heterocyclic compound that is aconitane bearing hydroxy groups at the 1alpha, 8, and 14alpha positions and substituted at on the nitrogen and at positions 4 and 16beta by ethyl, methyl, and methoxy groups, respectively.

Term info

Label

karakoline

Synonyms
  • 20-ethyl-16beta-methoxy-4-methylaconitane-1alpha,8,14alpha-triol
  • Karakoline
database cross reference
Subsets

3_STAR

IUPAC NAME
20-ethyl-16beta-methoxy-4-methylaconitane-1alpha,8,14alpha-triol [ IUPAC ]

charge

0

formula

C22H35NO4

has obo namespace

chebi_ontology

has related synonym

Carmichaeline, Karacoline, Aconitane-1,8,14-triol, 20-ethyl-16-methoxy-4-methyl-, (1-alpha,14-alpha,16-beta)-, Carmicheline

id

CHEBI:6113

inchi

InChI=1S/C22H35NO4/c1-4-23-10-20(2)6-5-16(24)22-12-7-11-14(27-3)9-21(26,17(12)18(11)25)13(19(22)23)8-15(20)22/h11-19,24-26H,4-10H2,1-3H3/t11-,12-,13+,14+,15-,16+,17-,18+,19?,20+,21+,22-/m1/s1

inchikey

HKQZUYOVMYOFIT-VHNBHZRZSA-N

mass

377.51764

monoisotopicmass

377.25661

smiles

[H][C@]12C[C@]3([H])[C@]([H])([C@H]1O)[C@](O)(C[C@@H]2OC)[C@@]1([H])C[C@]2([H])[C@@]4(C)CC[C@H](O)[C@@]32C1N(CC)C4