Analyte Name

AAL Toxin TD2

CAS Number

176590-36-6

Molecular Formula

C27 H49 N O10

Molecular Weight

547.679

Accurate Mass

547.336

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)CCCCCC[C@H](O)C[C@@H](O)CNC(=O)C

InChI

InChI=1S/C27H49NO10/c1-5-18(3)26(38-25(35)14-20(27(36)37)13-24(33)34)23(32)12-17(2)10-8-6-7-9-11-21(30)15-22(31)16-28-19(4)29/h17-18,20-23,26,30-32H,5-16H2,1-4H3,(H,28,29)(H,33,34)(H,36,37)/t17-,18+,20+,21-,22+,23-,26+/m0/s1

IUPAC

(2R)-2-[2-[(3R,4R,5S,7S,14S,16R)-17-acetamido-5,14,16-trihydroxy-3,7-dimethylheptadecan-4-yl]oxy-2-oxoethyl]butanedioic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat