Esculin Sesquihydrate

Analyte Name

Esculin Sesquihydrate

CAS Number

66778-17-4

Molecular Formula

2 C15 H16 O9 . 3 H2 O

Molecular Weight

734.61

Accurate Mass

734.191

SMILES

O.O.O.OC[C@H]1O[C@@H](Oc2cc3C=CC(=O)Oc3cc2O)[C@H](O)[C@@H](O)[C@@H]1O.OC[C@H]4O[C@@H](Oc5cc6C=CC(=O)Oc6cc5O)[C@H](O)[C@@H](O)[C@@H]4O

InChI

InChI=1S/2C15H16O9.3H2O/c2*16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17;;;/h2*1-4,10,12-17,19-21H,5H2;3*1H2/t2*10-,12-,13+,14-,15-;;;/m11.../s1

IUPAC

7-hydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one;trihydrate

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

Purity

>95% (HPLC)