4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(4-methoxyphenyl)-8-[(2-O-sulfo-β-D-glucopyranosyl)oxy]-, monopotassium salt

CAS Registry Number®

136516-95-5

CAS Name

4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(4-methoxyphenyl)-8-[(2-O-sulfo-β-D-glucopyranosyl)oxy]-, monopotassium salt

Molecular Formula

C22H22O14S.K

Cite this Page

4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(4-methoxyphenyl)-8-[(2-O-sulfo-β-D-glucopyranosyl)oxy]-, monopotassium salt.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=136516-95-5 (retrieved 2025-01-07) (CAS RN: 136516-95-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C22H22O14S.K/c1-32-10-4-2-9(3-5-10)14-7-12(25)16-11(24)6-13(26)19(20(16)33-14)35-22-21(36-37(29,30)31)18(28)17(27)15(8-23)34-22;/h2-7,15,17-18,21-24,26-28H,8H2,1H3,(H,29,30,31);/t15-,17-,18+,21-,22+;/m1./s1

InChIKey

InChIKey=SRVZKSHSGDHEEK-BYIFJZJBSA-N

SMILES

O(C1=C2C(C(=O)C=C(O2)C3=CC=C(OC)C=C3)=C(O)C=C1O)[C@H]4[C@H](OS(=O)(=O)O)[C@@H](O)[C@H](O)[C@@H](CO)O4.[K]

Canonical SMILES

[K].O=C1C=C(OC=2C(OC3OC(CO)C(O)C(O)C3OS(=O)(=O)O)=C(O)C=C(O)C12)C=4C=CC(OC)=CC4

Other Names for this Substance

  • 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(4-methoxyphenyl)-8-[(2-O-sulfo-β-D-glucopyranosyl)oxy]-, monopotassium salt

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