CAS Registry Number®
531-75-9
CAS Name
Esculin
Molecular Formula
C15H16O9
Molecular Mass
340.28
Compound Properties
-
Melting Point (1)
205 °C (decomp)
Source(s)
- (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)
Other Names and Identifiers
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
InChIKey
InChIKey=XHCADAYNFIFUHF-TVKJYDDYSA-N
SMILES
O(C=1C=C2C(=CC1O)OC(=O)C=C2)[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O
Canonical SMILES
O=C1OC=2C=C(O)C(OC3OC(CO)C(O)C(O)C3O)=CC2C=C1
Other Names for this Substance
- 2H-1-Benzopyran-2-one, 6-(β-D-glucopyranosyloxy)-7-hydroxy-
- Esculin
- 6-(β-D-Glucopyranosyloxy)-7-hydroxy-2H-1-benzopyran-2-one
- Crataegin
- 6,7-Dihydroxycoumarin 6-glucoside
- Enallachrome
- Escosyl
- Esculetin 6-β-D-glucoside
- Esculoside
- Polychrome
- Vitamin C2
- Aesculin
- Esculine
- Polychrom
- (-)-Esculin
- Esculetin 6-O-glucoside
- 6-(β-D-Glucopyranosyloxy)-7-hydroxycoumarin
- MeSH ID: D004929
Deleted or Replaced CAS Registry Numbers
97882-87-6, 25360-17-2, 28633-38-7, 29008-74-0, 1078728-35-4
