Isoflavone, 5,7-dihydroxy-4′-methoxy-, 7-β-D-glucopyranoside 6′-(methyl malonate)

CAS Registry Number®

34232-19-4
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CAS Name

Isoflavone, 5,7-dihydroxy-4′-methoxy-, 7-β-D-glucopyranoside 6′-(methyl malonate)

Molecular Formula

C26H26O13

Molecular Mass

546.48

Cite this Page

Isoflavone, 5,7-dihydroxy-4′-methoxy-, 7-β-D-glucopyranoside 6′-(methyl malonate).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=34232-19-4 (retrieved 2024-09-19) (CAS RN: 34232-19-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C26H26O13/c1-34-13-5-3-12(4-6-13)15-10-36-17-8-14(7-16(27)21(17)22(15)30)38-26-25(33)24(32)23(31)18(39-26)11-37-20(29)9-19(28)35-2/h3-8,10,18,23-27,31-33H,9,11H2,1-2H3/t18-,23-,24+,25-,26-/m1/s1

InChIKey

InChIKey=QYBKKYHYZHUTOL-ABNLYDASSA-N

SMILES

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

Canonical SMILES

O=C(OC)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

  • Isoflavone, 5,7-dihydroxy-4′-methoxy-, 7-β-D-glucopyranoside 6′-(methyl malonate)