2-(β-D-Glucopyranosyloxy)-7-hydroxy-2H-1,4-benzoxazin-3(4H)-one

CAS Registry Number®

28512-70-1
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CAS Name

2-(β-D-Glucopyranosyloxy)-7-hydroxy-2H-1,4-benzoxazin-3(4H)-one

Molecular Formula

C14H17NO9

Molecular Mass

343.29

Cite this Page

2-(β-D-Glucopyranosyloxy)-7-hydroxy-2H-1,4-benzoxazin-3(4H)-one.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=28512-70-1 (retrieved 2024-09-19) (CAS RN: 28512-70-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    262-263 °C (decomp)

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C14H17NO9/c16-4-8-9(18)10(19)11(20)13(23-8)24-14-12(21)15-6-2-1-5(17)3-7(6)22-14/h1-3,8-11,13-14,16-20H,4H2,(H,15,21)/t8-,9-,10+,11-,13+,14?/m1/s1

InChIKey

InChIKey=VUFDXOACUHDTLI-BJPDSMLBSA-N

SMILES

O(C1OC=2C(NC1=O)=CC=C(O)C2)[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O

Canonical SMILES

O=C1NC2=CC=C(O)C=C2OC1OC3OC(CO)C(O)C(O)C3O

Other Names for this Substance

  • 2H-1,4-Benzoxazin-3(4H)-one, 2-(β-D-glucopyranosyloxy)-7-hydroxy-
  • 2-(β-D-Glucopyranosyloxy)-7-hydroxy-2H-1,4-benzoxazin-3(4H)-one
  • DHBOA-Glc