Jaconine

Analyte Name

Jaconine

CAS Number

480-75-1

Molecular Formula

C18H26ClNO6

Molecular Weight

387.86

Accurate Mass

387.1449

SMILES

O=C(O[C@@H]1CCN(CC=C2COC3=O)[C@@]12[H])[C@@](O)([C@](C)([H])Cl)C[C@H]([C@@]3(C)O)C

InChI

InChI=1S/C18H26ClNO6/c1-10-8-18(24,11(2)19)16(22)26-13-5-7-20-6-4-12(14(13)20)9-25-15(21)17(10,3)23/h4,10-11,13-14,23-24H,5-9H2,1-3H3/t10-,11-,13-,14-,17-,18+/m1/s1

IUPAC

(3R,5R,6R,9a1R,14aR)-3-((R)-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

Country of Origin

CANADA

Product Format

Neat