JACONINE

Structure

2D structure of JACONINE
2D structure
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3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 72614

Names and identifiers

Name

JACONINE

IUPAC name

(3R,5R,6R,9a1R,14aR)-3-(1-chloroethyl)-3,6-dihydroxy-5,6-dimethyl-3,4,5,6,9,9a1,11,13,14,14a-decahydro-[1,6]dioxacyclododecino[2,3,4-gh]pyrrolizine-2,7-dione

SMILES

C[C@@H]1C[C@@](C(=O)O[C@@H]2CCN3[C@@H]2C(=CC3)COC(=O)[C@]1(C)O)(C(C)Cl)O

General information

Molecular formula

C18H26ClNO6

Molecular weight

387.86 g/mol

Monoisotopic mass

387.1449 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
No

Chemical classification: NPClassifier (Kim et al., 2021)

Plants with the compound

Plant Plant part Amount Reference
Senecio vulgaris L. subsp. vulgaris - -
Ramsdell, H.S., Buhler, D.R. (1981). High-performance liquid chromatographic analysis of pyrrolizidine (Senecio) alkaloids using a reversed-phase styrene-divinylbenzene resin column. J Chromatogr, 210, 154-158 doi:10.1016/s0021-9673(00)91193-2