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

CAS Registry Number®

131622-65-6
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CAS Name

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

Molecular Formula

C22H22O15S

Molecular Mass

558.47

Cite this Page

8-(β-D-Glucopyranosyloxy)-5,7-dihydroxy-2-[4-methoxy-3-(sulfooxy)phenyl]-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=131622-65-6 (retrieved 2024-09-20) (CAS RN: 131622-65-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C22H22O15S/c1-33-12-3-2-8(4-14(12)37-38(30,31)32)13-6-10(25)16-9(24)5-11(26)20(21(16)34-13)36-22-19(29)18(28)17(27)15(7-23)35-22/h2-6,15,17-19,22-24,26-29H,7H2,1H3,(H,30,31,32)/t15-,17-,18+,19-,22+/m1/s1

InChIKey

InChIKey=HUTZNOYDOCPVOR-LNBCOLIQSA-N

SMILES

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

Canonical SMILES

O=C1C=C(OC=2C(OC3OC(CO)C(O)C(O)C3O)=C(O)C=C(O)C12)C=4C=CC(OC)=C(OS(=O)(=O)O)C4

Other Names for this Substance

  • 4H-1-Benzopyran-4-one, 8-(β-D-glucopyranosyloxy)-5,7-dihydroxy-2-[4-methoxy-3-(sulfooxy)phenyl]-
  • 8-(β-D-Glucopyranosyloxy)-5,7-dihydroxy-2-[4-methoxy-3-(sulfooxy)phenyl]-4H-1-benzopyran-4-one