Esculin

Datasheet MSDS
Catalog Number
ANC01157
Product Name
Esculin
Structure
Esculin
CAS Number
531-75-9
IUPAC Name
7-hydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
Synonyms
6-(b-D-Glucopyranosyloxy)-7-hydroxycoumarin; Esculetin-6-b-D-glucopyranoside; Aesculinum; Aesculin
Molecular Formula
C15H16O9H2O
Molecular Weight
358.3
Appearance
White powder
Purity
>98%
SMILES
C1=CC(=O)OC2=CC(=C(C=C21)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O
InChI
InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2/t10-,12-,13+,14-,15-/m1/s1
InChI Key
XHCADAYNFIFUHF-TVKJYDDYSA-N
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