Esculin

CAS Registry Number®

531-75-9
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CAS Name

Esculin

Molecular Formula

C15H16O9

Molecular Mass

340.28

Cite this Page

Esculin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=531-75-9 (retrieved 2024-04-26) (CAS RN: 531-75-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

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

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Deleted or Replaced CAS Registry Numbers

97882-87-6, 25360-17-2, 28633-38-7, 29008-74-0, 1078728-35-4

CAS INSIGHTSTM
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