Analyte Name

AAL Toxin TC2

CAS Number

176590-34-4

Molecular Formula

C25 H47 N O8

Molecular Weight

489.643

Accurate Mass

489.33

SMILES

CC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@@H](O)C[C@@H](C)CCCCCCCC[C@@H](O)CN

InChI

InChI=1S/C25H47NO8/c1-4-18(3)24(34-23(31)15-19(25(32)33)14-22(29)30)21(28)13-17(2)11-9-7-5-6-8-10-12-20(27)16-26/h17-21,24,27-28H,4-16,26H2,1-3H3,(H,29,30)(H,32,33)/t17-,18+,19+,20+,21-,24+/m0/s1

IUPAC

(2R)-2-[2-[(3R,4R,5S,7S,16R)-17-amino-5,16-dihydroxy-3,7-dimethylheptadecan-4-yl]oxy-2-oxoethyl]butanedioic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat