Analyte Name

beta-Sitosterol Linoleate

Molecular Formula

C47H80O2

Molecular Weight

677.13

Accurate Mass

676.61

SMILES

CCCCC/C=C\C/C=C\CCCCCCCC(O[C@H]1CC[C@@]2(C3CC[C@@]4([C@@H]([C@@H](CC[C@H](C(C)C)CC)C)CC[C@@]4([H])[C@]3([H])CC=C2C1)C)C)=O

InChI

InChI=1S/C47H80O2/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-45(48)49-40-31-33-46(6)39(35-40)27-28-41-43-30-29-42(47(43,7)34-32-44(41)46)37(5)25-26-38(9-2)36(3)4/h13-14,16-17,27,36-38,40-44H,8-12,15,18-26,28-35H2,1-7H3/b14-13-,17-16-/t37-,38-,40+,41+,42-,43+,44?,46+,47-/m1/s1

IUPAC

[(3S,8S,10R,13R,14S,17R)-17-[(1R,4R)-4-ethyl-1,5-dimethyl-hexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (9Z,12Z)-octadeca-9,12-dienoate

Country of Origin

CANADA

Product Format

Neat