Aesculin

Aesculin
Names
	IUPAC name 6-(β-D-Glucopyranosyloxy)-7-hydroxy-2H-1-benzopyran-2-one
	Systematic IUPAC name 7-Hydroxy-6-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2H-1-benzopyran-2-one
	Other names Æsculin; Esculin; Esculetin 6-β-D-glucoside; 6,7-Dihydroxycoumarin 6-β-D-glucoside; 6,7-Dihydroxychromen-2-one 6-β-D-glucoside;
Identifiers
CAS Number	531-75-9 ;
3D model (JSmol)	Interactive image;
ChEBI	CHEBI:4853;
ChEMBL	ChEMBL482581 ;
ChemSpider	4444765 ;
DrugBank	DB13155;
ECHA InfoCard	100.007.744
EC Number	208-517-5;
KEGG	C09264;
PubChem CID	5281417;
UNII	1Y1L18LQAF ;
CompTox Dashboard (EPA)	DTXSID7045318 ;
	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 Key: XHCADAYNFIFUHF-TVKJYDDYSA-N ; 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/t10-,12-,13+,14-,15-/m1/s1 Key: XHCADAYNFIFUHF-TVKJYDDYBL;
	SMILES O=C/3Oc2c(cc(O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)CO)c(O)c2)\C=C\3;
Properties
Chemical formula	C15H16O9
Molar mass	340.284 g·mol−1
	Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). verify (what is ?) Infobox references

Aesculin, also called æsculin or esculin, is a coumarin glucoside that naturally occurs in the trees horse chestnut (Aesculus hippocastanum), California buckeye (Aesculus californica), and prickly box (Bursaria spinosa). It is also found in daphnin (the dark green resin of Daphne mezereum), dandelion coffee, and olive bark. It is reported to be present in olive bark, but not in olive leaf; therefore, identification of aesculin in abundance in an olive extract indicates that the extract has been derived from olive bark.

Names

IUPAC name 6-(β-D-Glucopyranosyloxy)-7-hydroxy-2H-1-benzopyran-2-one
Systematic IUPAC name 7-Hydroxy-6-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2H-1-benzopyran-2-one
Other names Æsculin Esculin Esculetin 6-β-D-glucoside 6,7-Dihydroxycoumarin 6-β-D-glucoside 6,7-Dihydroxychromen-2-one 6-β-D-glucoside
Identifiers
CAS Number	531-75-9^Y
3D model (JSmol)	Interactive image
ChEBI	CHEBI:4853
ChEMBL	ChEMBL482581^Y
ChemSpider	4444765^Y
DrugBank	DB13155
ECHA InfoCard	100.007.744
EC Number	208-517-5
KEGG	C09264
PubChem CID	5281417
UNII	1Y1L18LQAF^Y
CompTox Dashboard (EPA)	DTXSID7045318
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^Y Key: XHCADAYNFIFUHF-TVKJYDDYSA-N^Y 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/t10-,12-,13+,14-,15-/m1/s1 Key: XHCADAYNFIFUHF-TVKJYDDYBL
SMILES O=C/3Oc2c(cc(O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)CO)c(O)c2)\C=C\3
Properties
Chemical formula	C₁₅H₁₆O₉
Molar mass	340.284 g·mol⁻¹
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Y verify (what is ^YN ?) Infobox references