7-Chloro-2′,4-dimethoxy-6′-methyl-3,4′-dioxospiro[benzofuran-2(3H),1′-[2]cyclohexen]-6-yl β-D-glucopyranosiduronic acid

CAS Registry Number®

20169-21-5

CAS Name

7-Chloro-2′,4-dimethoxy-6′-methyl-3,4′-dioxospiro[benzofuran-2(3H),1′-[2]cyclohexen]-6-yl β-D-glucopyranosiduronic acid

Molecular Formula

C22H23ClO12

Molecular Mass

514.86

Cite this Page

7-Chloro-2′,4-dimethoxy-6′-methyl-3,4′-dioxospiro[benzofuran-2(3H),1′-[2]cyclohexen]-6-yl β-D-glucopyranosiduronic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=20169-21-5 (retrieved 2024-11-25) (CAS RN: 20169-21-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C22H23ClO12/c1-7-4-8(24)5-11(32-3)22(7)19(28)12-9(31-2)6-10(13(23)17(12)35-22)33-21-16(27)14(25)15(26)18(34-21)20(29)30/h5-7,14-16,18,21,25-27H,4H2,1-3H3,(H,29,30)/t7-,14+,15+,16-,18+,21-,22+/m1/s1

InChIKey

InChIKey=GRSDPCXCWCDMOY-DAAJYQLGSA-N

SMILES

O=C1[C@@]2(OC=3C1=C(OC)C=C(O[C@@H]4O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]4O)C3Cl)C(OC)=CC(=O)C[C@H]2C

Canonical SMILES

O=C(O)C1OC(OC2=CC(OC)=C3C(=O)C4(OC3=C2Cl)C(OC)=CC(=O)CC4C)C(O)C(O)C1O

Other Names for this Substance

  • β-D-Glucopyranosiduronic acid, 7-chloro-2′,4-dimethoxy-6′-methyl-3,4′-dioxospiro[benzofuran-2(3H),1′-[2]cyclohexen]-6-yl
  • Glucopyranosiduronic acid, 7-chloro-2′,4-dimethoxy-6′β-methyl-3,4′-dioxospiro[benzofuran-2(3H),1′-[2]cyclohexen]-6-yl, β-D-
  • Spiro[benzofuran-2(3H),1′-cyclohexane], β-D-glucopyranosiduronic acid deriv.
  • 7-Chloro-2′,4-dimethoxy-6′-methyl-3,4′-dioxospiro[benzofuran-2(3H),1′-[2]cyclohexen]-6-yl β-D-glucopyranosiduronic acid
  • 6-Desmethylgriseofulvin glucuronide

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Deleted or Replaced CAS Registry Numbers

51203-21-5

CAS INSIGHTSTM
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