Analyte Name

S-Petasin

CAS Number

70238-51-6

Molecular Formula

C19 H26 O3 S

Molecular Weight

334.473

Accurate Mass

334.16

SMILES

CS\C=C/C(=O)O[C@@H]1CCC2=CC(=O)[C@@H](C[C@]2(C)[C@H]1C)C(=C)C

InChI

InChI=1S/C19H26O3S/c1-12(2)15-11-19(4)13(3)17(22-18(21)8-9-23-5)7-6-14(19)10-16(15)20/h8-10,13,15,17H,1,6-7,11H2,2-5H3/b9-8-/t13-,15-,17+,19+/m0/s1

IUPAC

[(1R,2R,7S,8aR)-1,8a-dimethyl-6-oxo-7-prop-1-en-2-yl-1,2,3,4,7,8-hexahydronaphthalen-2-yl] (Z)-3-methylsulfanylprop-2-enoate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat