Phenylmethyl 2-(β-D-glucopyranosyloxy)-6-hydroxybenzoate

CAS Registry Number®

403857-21-6

CAS Name

Phenylmethyl 2-(β-D-glucopyranosyloxy)-6-hydroxybenzoate

Molecular Formula

C20H22O9

Molecular Mass

406.38

Cite this Page

Phenylmethyl 2-(β-D-glucopyranosyloxy)-6-hydroxybenzoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=403857-21-6 (retrieved 2024-11-25) (CAS RN: 403857-21-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C20H22O9/c21-9-14-16(23)17(24)18(25)20(29-14)28-13-8-4-7-12(22)15(13)19(26)27-10-11-5-2-1-3-6-11/h1-8,14,16-18,20-25H,9-10H2/t14-,16-,17+,18-,20-/m1/s1

InChIKey

InChIKey=GTFARABJCNHOHO-UVNCQSPWSA-N

SMILES

O(C1=C(C(OCC2=CC=CC=C2)=O)C(O)=CC=C1)[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O

Canonical SMILES

O=C(OCC=1C=CC=CC1)C=2C(O)=CC=CC2OC3OC(CO)C(O)C(O)C3O

Other Names for this Substance

  • Benzoic acid, 2-(β-D-glucopyranosyloxy)-6-hydroxy-, phenylmethyl ester
  • Phenylmethyl 2-(β-D-glucopyranosyloxy)-6-hydroxybenzoate
  • Benzyl 2-O-β-D-glucopyranosyl 2,6-dihydroxybenzoate

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