Products 480-75-1

CAS 480-75-1 is the registry number for Jaconine. Offered by: Biosynth, MedChemExpress, Sigma-Aldrich. Available pack sizes: 2mg, 5mg, 10mg, 25mg, Get quote.

Jaconine
Biosynth, MedChemExpress, Sigma-Aldrich
  • size: 2mg, 5mg, 10mg, 25mg
  • Variants: 6
from 3195.00
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Structural formula: {0} (CAS {1})

Jaconine is a pyrrolizine alkaloid that is jacoline in which the secondary hydroxy group has been replaced by a chlorine. It has a role as a Jacobaea metabolite. It is a diol, an organic heterotricyclic compound, an organochlorine compound, a pyrrolizine alkaloid, a tertiary amino compound and a macrocyclic lactone. It is functionally related to a jacoline.

Source: ChEBI

Identity
Molecular formulaC18H26ClNO6
Molecular weight387.9 g/mol
IUPAC name(1R,4R,6R,7R,17R)-4-[(1R)-1-chloroethyl]-4,7-dihydroxy-6,7-dimethyl-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione
InChIKeyCKPJPJSVQMEGBC-YLFNNMARSA-N
SMILESC[C@@H]1C[C@@](C(=O)O[C@@H]2CCN3[C@@H]2C(=CC3)COC(=O)[C@]1(C)O)([C@@H](C)Cl)O

Computed by PubChem (NCBI)

Synonyms: Jaconine, (15alpha,20R)-20-Chloro-15,20-dihydro-12,15-dihydroxysenecionan-11,16-dione, 4-27-00-06661 (Beilstein Handbook Reference), (15-alpha,20R)-20-Chloro-15,20-dihydro-12,15-dihydroxysenecionan-11,16-dione, CKPJPJSVQMEGBC-UHFFFAOYSA-N