Populin

CAS Registry Number®

99-17-2

CAS Name

Populin

Molecular Formula

C20H22O8

Molecular Mass

390.38

Cite this Page

Populin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=99-17-2 (retrieved 2024-11-22) (CAS RN: 99-17-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    180 °C

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

InChI=1S/C20H22O8/c21-10-13-8-4-5-9-14(13)27-20-18(24)17(23)16(22)15(28-20)11-26-19(25)12-6-2-1-3-7-12/h1-9,15-18,20-24H,10-11H2/t15-,16-,17+,18-,20-/m1/s1

InChIKey

InChIKey=HHSKNLJWHGXWPK-BFMVXSJESA-N

SMILES

O([C@@H]1O[C@H](COC(=O)C2=CC=CC=C2)[C@@H](O)[C@H](O)[C@H]1O)C3=C(CO)C=CC=C3

Canonical SMILES

O=C(OCC1OC(OC=2C=CC=CC2CO)C(O)C(O)C1O)C=3C=CC=CC3

Other Names for this Substance

  • β-D-Glucopyranoside, 2-(hydroxymethyl)phenyl, 6-benzoate
  • Populin
  • Salicin 6′-benzoate
  • Salicin 6-benzoate
  • Salicin benzoate

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