4-Methylumbelliferyl 6-Thio-palmitate-Beta-D-glucopyranoside

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Analyte Name

4-Methylumbelliferyl 6-thio-Palmitate-beta-D-Glucopyranoside

CAS Number

229644-17-1

Molecular Formula

C32 H48 O8 S

Molecular Weight

592.78

Accurate Mass

592.307

SMILES

CCCCCCCCCCCCCCCC(=O)SC[C@H]1O[C@@H](Oc2ccc3C(=CC(=O)Oc3c2)C)[C@H](O)[C@@H](O)[C@@H]1O

InChI

InChI=1S/C32H48O8S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-28(34)41-21-26-29(35)30(36)31(37)32(40-26)38-23-17-18-24-22(2)19-27(33)39-25(24)20-23/h17-20,26,29-32,35-37H,3-16,21H2,1-2H3/t26-,29-,30+,31-,32-/m1/s1

IUPAC

S-[[(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-methyl-2-oxochromen-7-yl)oxyoxan-2-yl]methyl] hexadecanethioate

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

Purity

>95% (HPLC)