Polydatin

CAS Registry Number®

27208-80-6
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CAS Name

Polydatin

Molecular Formula

C20H22O8

Molecular Mass

390.38

Cite this Page

Polydatin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=27208-80-6 (retrieved 2024-04-25) (CAS RN: 27208-80-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    225-226 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C20H22O8/c21-10-16-17(24)18(25)19(26)20(28-16)27-15-8-12(7-14(23)9-15)2-1-11-3-5-13(22)6-4-11/h1-9,16-26H,10H2/b2-1+/t16-,17-,18+,19-,20-/m1/s1

InChIKey

InChIKey=HSTZMXCBWJGKHG-CUYWLFDKSA-N

SMILES

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

Canonical SMILES

OC1=CC=C(C=C1)C=CC=2C=C(O)C=C(OC3OC(CO)C(O)C(O)C3O)C2

Other Names for this Substance

  • β-D-Glucopyranoside, 3-hydroxy-5-[(1E)-2-(4-hydroxyphenyl)ethenyl]phenyl
  • Piceid
  • β-D-Glucopyranoside, 3-hydroxy-5-[2-(4-hydroxyphenyl)ethenyl]phenyl, (E)-
  • 3-Hydroxy-5-[(1E)-2-(4-hydroxyphenyl)ethenyl]phenyl β-D-glucopyranoside
  • Polydatin

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Deleted or Replaced CAS Registry Numbers

28759-35-5, 31156-78-2, 32095-27-5, 53520-91-5, 58462-72-9, 2003209-25-2

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