Marein

CAS Registry Number®

535-96-6

CAS Name

Marein

Molecular Formula

C21H22O11

Molecular Mass

450.39

Cite this Page

Marein.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=535-96-6 (retrieved 2024-11-22) (CAS RN: 535-96-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    130-132 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C21H22O11/c22-8-15-18(28)19(29)20(30)21(32-15)31-14-6-3-10(16(26)17(14)27)11(23)4-1-9-2-5-12(24)13(25)7-9/h1-7,15,18-22,24-30H,8H2/b4-1+/t15-,18-,19+,20-,21-/m1/s1

InChIKey

InChIKey=XGEYXJDOVMEJNG-HTFDPZBKSA-N

SMILES

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

Canonical SMILES

O=C(C=CC1=CC=C(O)C(O)=C1)C2=CC=C(OC3OC(CO)C(O)C(O)C3O)C(O)=C2O

Other Names for this Substance

  • 2-Propen-1-one, 3-(3,4-dihydroxyphenyl)-1-[4-(β-D-glucopyranosyloxy)-2,3-dihydroxyphenyl]-, (2E)-
  • 2-Propen-1-one, 3-(3,4-dihydroxyphenyl)-1-[4-(β-D-glucopyranosyloxy)-2,3-dihydroxyphenyl]-, (E)-
  • Marein
  • Chalcone, 2′,3,3′,4,4′-pentahydroxy-, 4′-β-D-glucopyranoside
  • (2E)-3-(3,4-Dihydroxyphenyl)-1-[4-(β-D-glucopyranosyloxy)-2,3-dihydroxyphenyl]-2-propen-1-one

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