Registration Dossier

General information

Inventory

EC number:
208-517-5
EC name:
Aesculin
CAS number:
531-75-9

No inventory information available

Reference substance information

IUPAC name:
7-hydroxy-6-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2H-chromen-2-one
Synonyms
Names:
2H-1-Benzopyran-2-one, 6-(.beta.-D-glucopyranosyloxy)-7-hydroxy-
2H-1-Benzopyran-2-one, 6-(ß-D-glucopyranosyloxy)-7-hydroxy-
7-hydroxy-2-oxo-2H-chromen-6-yl beta-D-glucopyranoside

CAS information

CAS number:
531-75-9

Molecular and structural information

Molecular formula:
C15H16O9
Molecular weight:
340.282
SMILES notation:
OC[C@H]1O[C@@H](Oc2cc3C=CC(=O)Oc3cc2O)[C@H](O)[C@@H](O)[C@@H]1O
InChl:
InChI=1/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
Structural formula:
Chemical structure