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CAS 531-75-9

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Esculin

Description:
Esculin, also known as aescin or esculin, is a naturally occurring coumarin derivative with the CAS number 531-75-9. It is primarily found in the seeds of the horse chestnut tree (Aesculus hippocastanum) and exhibits a range of biological activities. Esculin is characterized by its phenolic structure, which contributes to its antioxidant properties. It is soluble in water and alcohol, making it useful in various formulations. The compound has been studied for its potential therapeutic effects, including anti-inflammatory and vasoprotective properties, which may be beneficial in treating conditions like chronic venous insufficiency. Additionally, esculin has been shown to possess antimicrobial activity. In laboratory settings, it is often used as a marker for the identification of certain plant species and in phytochemical studies. However, it is important to note that while esculin has beneficial properties, it can also be toxic in high concentrations, necessitating careful handling and dosage considerations in any applications.
Formula:C15H16O9
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: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
Synonyms:
  • 2H-1-Benzopyran-2-one, 6-(beta-D-glucopyranosyloxy)-7-hydroxy-
  • 2H-1-Benzopyran-2-one, 6-(β-<span class="text-smallcaps">D</span>-glucopyranosyloxy)-7-hydroxy-
  • 2H-1-Benzopyran-2-one, 6-(β-D-glucopyranosyloxy)-7-hydroxy-
  • 6,7-Dihydroxycoumarin 6-glucoside
  • 6,7-Dihydroxycoumarin 6-glucoside hydrate
  • 6-(Beta-D-Glucopyranosyloxy)-7-Hydroxy-2H-1-Benzopyran-2-On
  • 6-(β-<span class="text-smallcaps">D</span>-Glucopyranosyloxy)-7-hydroxy-2H-1-benzopyran-2-one
  • 6-(β-<span class="text-smallcaps">D</span>-Glucopyranosyloxy)-7-hydroxycoumarin
  • 6-(β-D-Glucopyranosyloxy)-7-hydroxy-2H-1-benzopyran-2-one
  • 6-(β-D-Glucopyranosyloxy)-7-hydroxycoumarin
  • See more synonyms
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