2-[3-(β-D-Glucopyranosyloxy)-4-hydroxyphenyl]-5,7-dihydroxy-6-methoxy-4H-1-benzopyran-4-one

CAS Registry Number®

112208-84-1

CAS Name

2-[3-(β-D-Glucopyranosyloxy)-4-hydroxyphenyl]-5,7-dihydroxy-6-methoxy-4H-1-benzopyran-4-one

Molecular Formula

C22H22O12

Molecular Mass

478.40

Cite this Page

2-[3-(β-D-Glucopyranosyloxy)-4-hydroxyphenyl]-5,7-dihydroxy-6-methoxy-4H-1-benzopyran-4-one.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=112208-84-1 (retrieved 2025-03-12) (CAS RN: 112208-84-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C22H22O12/c1-31-21-11(26)6-14-16(18(21)28)10(25)5-12(32-14)8-2-3-9(24)13(4-8)33-22-20(30)19(29)17(27)15(7-23)34-22/h2-6,15,17,19-20,22-24,26-30H,7H2,1H3/t15-,17-,19+,20-,22-/m1/s1

InChIKey

InChIKey=VYKCLUAGIMQEER-IWLDQSELSA-N

SMILES

OC1=C2C(OC(=CC2=O)C3=CC(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)=C(O)C=C3)=CC(O)=C1OC

Canonical SMILES

O=C1C=C(OC2=CC(O)=C(OC)C(O)=C12)C=3C=CC(O)=C(OC4OC(CO)C(O)C(O)C4O)C3

Other Names for this Substance

  • 4H-1-Benzopyran-4-one, 2-[3-(β-D-glucopyranosyloxy)-4-hydroxyphenyl]-5,7-dihydroxy-6-methoxy-
  • 2-[3-(β-D-Glucopyranosyloxy)-4-hydroxyphenyl]-5,7-dihydroxy-6-methoxy-4H-1-benzopyran-4-one

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