Malonylgenistin

CAS Registry Number®

51011-05-3
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CAS Name

Malonylgenistin

Molecular Formula

C24H22O13

Molecular Mass

518.42

Cite this Page

Malonylgenistin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=51011-05-3 (retrieved 2024-04-27) (CAS RN: 51011-05-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C24H22O13/c25-11-3-1-10(2-4-11)13-8-34-15-6-12(5-14(26)19(15)20(13)30)36-24-23(33)22(32)21(31)16(37-24)9-35-18(29)7-17(27)28/h1-6,8,16,21-26,31-33H,7,9H2,(H,27,28)/t16-,21-,22+,23-,24-/m1/s1

InChIKey

InChIKey=FRAUJUKWSKMNJY-RSEYPYQYSA-N

SMILES

O=C1C=2C(=CC(O[C@@H]3O[C@H](COC(CC(O)=O)=O)[C@@H](O)[C@H](O)[C@H]3O)=CC2O)OC=C1C4=CC=C(O)C=C4

Canonical SMILES

O=C(O)CC(=O)OCC1OC(OC2=CC(O)=C3C(=O)C(=COC3=C2)C=4C=CC(O)=CC4)C(O)C(O)C1O

Other Names for this Substance

  • 4H-1-Benzopyran-4-one, 7-[[6-O-(carboxyacetyl)-β-D-glucopyranosyl]oxy]-5-hydroxy-3-(4-hydroxyphenyl)-
  • Propanedioic acid, 6′-ester with 7-(β-D-glucopyranosyloxy)-5-hydroxy-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
  • 7-[[6-O-(Carboxyacetyl)-β-D-glucopyranosyl]oxy]-5-hydroxy-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
  • Genistin malonate
  • 6′′-O-Malonylgenistin

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Deleted or Replaced CAS Registry Numbers

857089-51-1

CAS INSIGHTSTM
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