Analyte Name

AAL Toxin TA2

CAS Number

79367-51-4

Molecular Formula

C25 H47 N O10

Molecular Weight

521.641

Accurate Mass

521.32

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)CCCCC[C@@H](O)[C@@H](O)C[C@H](O)CN

InChI

InChI=1S/C25H47NO10/c1-4-16(3)24(36-23(33)12-17(25(34)35)11-22(31)32)21(30)10-15(2)8-6-5-7-9-19(28)20(29)13-18(27)14-26/h15-21,24,27-30H,4-14,26H2,1-3H3,(H,31,32)(H,34,35)/t15-,16+,17+,18-,19+,20-,21-,24+/m0/s1

IUPAC

(2R)-2-[2-[(3R,4R,5S,7S,13R,14S,16S)-17-amino-5,13,14,16-tetrahydroxy-3,7-dimethylheptadecan-4-yl]oxy-2-oxoethyl]butanedioic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat