Description
IUPAC Name: [(1R,10S,13R,14S,16S,18R)-13-formyl-14-methyl-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6,8-tetraen-18-yl] acetate
InChI: InChI=1S/C21H22N2O3/c1-10-13(9-24)12-7-16-19-21(14-5-3-4-6-15(14)22-19)8-17(23(10)16)18(12)20(21)26-11(2)25/h3-6,9-10,12-13,16-18,20H,7-8H2,1-2H3/t10-,12?,13-,16-,17-,18?,20+,21+/m0/s1
InChIKey: GDXJMOGWONJRHL-HWUILILVSA-N
Canonical SMILES: CC1C(C2CC3N1C4C2C(C5(C4)C3=NC6=CC=CC=C56)OC(=O)C)C=O
Isomeric SMILES: C[C@H]1[C@@H](C2C[C@@H]3N1[C@@H]4C2[C@H]([C@@]5(C4)C3=NC6=CC=CC=C56)OC(=O)C)C=O
Synonyms: Perakine; 4382-56-3; Raucaffrine; [(1R,10S,13R,14S,16S,18R)-13-formyl-14-methyl-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6,8-tetraen-18-yl] acetate; [formyl(methyl)[?]yl] acetate; HY-N2030; AKOS032948605; DA-66581; …
Botanical Source: