Description
IUPAC Name: [(1R,4Z,6R,7R,17R)-4-ethylidene-6,7-dimethyl-3,8-dioxo-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadec-11-en-7-yl] acetate
InChI: InChI=1S/C20H27NO6/c1-5-14-10-12(2)20(4,27-13(3)22)19(24)25-11-15-6-8-21-9-7-16(17(15)21)26-18(14)23/h5-6,12,16-17H,7-11H2,1-4H3/b14-5-/t12-,16-,17-,20-/m1/s1
InChIKey: IVYWMLHULLVCRQ-ORELLFKUSA-N
Canonical SMILES: CC=C1CC(C(C(=O)OCC2=CCN3C2C(CC3)OC1=O)(C)OC(=O)C)C
Isomeric SMILES: C/C=C1/C[C@H]([C@@](C(=O)OCC2=CCN3[C@H]2[C@@H](CC3)OC1=O)(C)OC(=O)C)C
Synonyms: Senecionine acetate; HY-N7594; DA-57793; CS-0134728; 126642-77-1
Botanical Source: Senecio scandens Buch.-Ham.