Analyte Name

(17S)-Volicitin

CAS Number

191670-18-5

Molecular Formula

C23 H38 N2 O5

Molecular Weight

422.558

Accurate Mass

422.278

SMILES

C[C@H](O)\C=C/C\C=C/C\C=C/CCCCCCCC(=O)N[C@@H](CCC(=O)N)C(=O)O

InChI

InChI=1S/C23H38N2O5/c1-19(26)15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-22(28)25-20(23(29)30)17-18-21(24)27/h2-3,7,9,13,15,19-20,26H,4-6,8,10-12,14,16-18H2,1H3,(H2,24,27)(H,25,28)(H,29,30)/b3-2-,9-7-,15-13-/t19-,20-/m0/s1

IUPAC

(2S)-5-amino-2-[[(9Z,12Z,15Z,17S)-17-hydroxyoctadeca-9,12,15-trienoyl]amino]-5-oxopentanoic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat