Analyte Name

(E,E)-4,6-Dimethyl-2,4-heptadienoic Acid Methyl Ester

CAS Number

1215170-97-0

Molecular Formula

C10H16O2

Molecular Weight

168.23

Accurate Mass

461.164

SMILES

Cl.CCCC1C[C@@H](N(C)C1)[C@@H](=O)NC(C(C)Cl)C2[C@H](O)C(O)C(O)[C@H](SC)O2

InChI

InChI=1S/C18H34ClN2O5S.ClH/c1-5-6-10-7-11(21(3)8-10)17(25)20-12(9(2)19)16-14(23)13(22)15(24)18(26-16)27-4;/h9-18,22-24H,5-8H2,1-4H3,(H,20,25);1H/t9?,10?,11-,12?,13?,14-,15?,16?,18+;/m1./s1

IUPAC

[[2-chloro-1-[(3R,6S)-3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl]propyl]amino]-[(2R)-1-methyl-4-propylpyrrolidin-2-yl]methanone;hydrochloride

Alternate CAS Number

2240-14-4

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat