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Home/Compounds/Research Reagent/Crassicauline A
C35H49NO10
643.8 g/mol
Research Reagent

Crassicauline A

CAS79592-91-9
Category
Research Reagent
Compound Class
Natural Product
Primary Use
Research Compound

Crassicauline A is a diterpene alkaloid plant metabolite isolated from several Aconitum species. It is characterized as a toxic compound with a complex polycyclic structure, functioning as a xenobiotic and a human urinary metabolite.

Research reagent for toxicological studiesReference compound for analytical chemistryLaboratory use in pharmacognosy research

Content scope: Information here supports chemical identification and industrial supply, research, and manufacturing contexts. It is not a therapeutic claim, medical advice, or drug-use instructions.

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Identifiers
IUPAC Name

[(1S,2R,3R,4R,5S,6S,8R,9R,13S,16S,17R,18R)-8-acetyloxy-11-ethyl-5-hydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] 4-methoxybenzoate

InChIKey

GAZDXIGXYWVWQX-QVAFJCLZSA-N

SMILES

CCN1C[C@@]2(CC[C@@H]([C@@]34[C@@H]2[C@H]([C@@H](C31)[C@]5(C[C@@H]([C@]6(C[C@@H]4[C@@H]5[C@H]6OC(=O)C7=CC=C(C=C7)OC)O)OC)OC(=O)C)OC)OC)COC

Synonyms (4)
  • Crassicauline A