SENKIRKINE,O-ACETYL

Structure

2D structure of SENKIRKINE,O-ACETYL
2D structure
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3D model

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

Names and identifiers

Name

SENKIRKINE,O-ACETYL

IUPAC name

(1R,4E,6R,7R,11Z)-4-ethylidene-6,7,14-trimethyl-3,8,17-trioxo-2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-en-7-yl acetate

SMILES

CC=C2C[C@H]([C@@](C(=O)OCC1=CCN(CC[C@H](C1=O)OC2=O)C)(C)OC(C)=O)C

General information

Molecular formula

C21H29NO7

Molecular weight

407.46 g/mol

Monoisotopic mass

407.1944 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
No

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

Plants with the compound

Plant Plant part Amount Reference
Senecio inaequidens DC. - -
Bicchi, C., Caniato, R., Tabacchi, R., Tsoupras, G. (1989). Capillary gas chromatography/positive and negative ion chemical ionization mass spectrometry on pyrrolizidine alkaloids of Senecio inaequidens using ammonia and hydroxyl ions as the reagent species. J Nat Prod, 52(1), 32-41 doi:10.1021/np50061a002