Isorhapontin

CAS Registry Number®

32727-29-0
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CAS Name

Isorhapontin

Molecular Formula

C21H24O9

Molecular Mass

420.41

Cite this Page

Isorhapontin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=32727-29-0 (retrieved 2024-04-30) (CAS RN: 32727-29-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    193-194 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C21H24O9/c1-28-16-8-11(4-5-15(16)24)2-3-12-6-13(23)9-14(7-12)29-21-20(27)19(26)18(25)17(10-22)30-21/h2-9,17-27H,10H2,1H3/b3-2+/t17-,18-,19+,20-,21-/m1/s1

InChIKey

InChIKey=KLPUXMNQDCUPNO-DXKBKAGUSA-N

SMILES

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

Canonical SMILES

OC=1C=C(OC2OC(CO)C(O)C(O)C2O)C=C(C=CC3=CC=C(O)C(OC)=C3)C1

Other Names for this Substance

  • β-D-Glucopyranoside, 3-hydroxy-5-[(1E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]phenyl
  • β-D-Glucopyranoside, 3-hydroxy-5-[2-(4-hydroxy-3-methoxyphenyl)ethenyl]phenyl, (E)-
  • Isorhapontin
  • 3-Hydroxy-5-[(1E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]phenyl β-D-glucopyranoside
  • 3,4′,5-Trihydroxy-3′-methoxystilbene 3-O-β-D-glucopyranoside

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Deleted or Replaced CAS Registry Numbers

1004321-86-1, 2003209-27-4

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