(2S)-2-[3-(β-D-Glucopyranosyloxy)-4,5-dihydroxyphenyl]-2,3-dihydro-5,7-dihydroxy-4H-1-benzopyran-4-one

CAS Registry Number®

78708-33-5

CAS Name

(2S)-2-[3-(β-D-Glucopyranosyloxy)-4,5-dihydroxyphenyl]-2,3-dihydro-5,7-dihydroxy-4H-1-benzopyran-4-one

Molecular Formula

C21H22O12

Molecular Mass

466.39

Cite this Page

(2S)-2-[3-(β-D-Glucopyranosyloxy)-4,5-dihydroxyphenyl]-2,3-dihydro-5,7-dihydroxy-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=78708-33-5 (retrieved 2024-10-04) (CAS RN: 78708-33-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C21H22O12/c22-6-15-18(28)19(29)20(30)21(33-15)32-14-2-7(1-11(26)17(14)27)12-5-10(25)16-9(24)3-8(23)4-13(16)31-12/h1-4,12,15,18-24,26-30H,5-6H2/t12-,15+,18+,19-,20+,21+/m0/s1

InChIKey

InChIKey=SNFFBROYEDWRGB-NHXQFOETSA-N

SMILES

O=C1C[C@H](OC=2C1=C(O)C=C(O)C2)C3=CC(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)=C(O)C(O)=C3

Canonical SMILES

O=C1C=2C(O)=CC(O)=CC2OC(C3=CC(O)=C(O)C(OC4OC(CO)C(O)C(O)C4O)=C3)C1

Other Names for this Substance

  • 4H-1-Benzopyran-4-one, 2-[3-(β-D-glucopyranosyloxy)-4,5-dihydroxyphenyl]-2,3-dihydro-5,7-dihydroxy-, (2S)-
  • 4H-1-Benzopyran-4-one, 2-[3-(β-D-glucopyranosyloxy)-4,5-dihydroxyphenyl]-2,3-dihydro-5,7-dihydroxy-, (S)-
  • (2S)-2-[3-(β-D-Glucopyranosyloxy)-4,5-dihydroxyphenyl]-2,3-dihydro-5,7-dihydroxy-4H-1-benzopyran-4-one
  • Plantagoside

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