Biochanin A 7-O-β-D-glucoside 6′′-O-malonate

CAS Registry Number®

34232-17-2
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CAS Name

Biochanin A 7-O-β-D-glucoside 6′′-O-malonate

Molecular Formula

C25H24O13

Molecular Mass

532.45

Cite this Page

Biochanin A 7-O-β-D-glucoside 6′′-O-malonate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=34232-17-2 (retrieved 2024-09-10) (CAS RN: 34232-17-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C25H24O13/c1-34-12-4-2-11(3-5-12)14-9-35-16-7-13(6-15(26)20(16)21(14)30)37-25-24(33)23(32)22(31)17(38-25)10-36-19(29)8-18(27)28/h2-7,9,17,22-26,31-33H,8,10H2,1H3,(H,27,28)/t17-,22-,23+,24-,25-/m1/s1

InChIKey

InChIKey=VRCBYTZZZFFKEN-RBZNUJCTSA-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(OC)C=C4

Canonical SMILES

O=C(O)CC(=O)OCC1OC(OC2=CC(O)=C3C(=O)C(=COC3=C2)C=4C=CC(OC)=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-methoxyphenyl)-
  • Isoflavone, 5,7-dihydroxy-4′-methoxy-, 7-β-D-glucopyranoside 6′-(hydrogen malonate)
  • 7-[[6-O-(Carboxyacetyl)-β-D-glucopyranosyl]oxy]-5-hydroxy-3-(4-methoxyphenyl)-4H-1-benzopyran-4-one
  • Biochanin A 7-O-glucoside 6′′-O-malonate
  • Biochanin A 7-O-β-D-glucoside 6′′-O-malonate

Deleted or Replaced CAS Registry Numbers

857089-50-0