Analyte Name

AAL Toxin TE2

CAS Number

176590-38-8

Molecular Formula

C27 H49 N O9

Molecular Weight

531.679

Accurate Mass

531.341

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)CNC(=O)C

InChI

InChI=1S/C27H49NO9/c1-5-19(3)26(37-25(34)16-21(27(35)36)15-24(32)33)23(31)14-18(2)12-10-8-6-7-9-11-13-22(30)17-28-20(4)29/h18-19,21-23,26,30-31H,5-17H2,1-4H3,(H,28,29)(H,32,33)(H,35,36)/t18-,19+,21+,22+,23-,26+/m0/s1

IUPAC

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

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat