4H-1-Benzopyran-4-one-8-d, 7-(β-D-glucopyranosyloxy)-3-(4-hydroxyphenyl-3,5-d2)-

CAS Registry Number®

220930-97-2
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CAS Name

4H-1-Benzopyran-4-one-8-d, 7-(β-D-glucopyranosyloxy)-3-(4-hydroxyphenyl-3,5-d2)-

Molecular Formula

C21H17D3O9

Cite this Page

4H-1-Benzopyran-4-one-8-d, 7-(β-D-glucopyranosyloxy)-3-(4-hydroxyphenyl-3,5-d2)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=220930-97-2 (retrieved 2024-09-20) (CAS RN: 220930-97-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C21H20O9/c22-8-16-18(25)19(26)20(27)21(30-16)29-12-5-6-13-15(7-12)28-9-14(17(13)24)10-1-3-11(23)4-2-10/h1-7,9,16,18-23,25-27H,8H2/t16-,18-,19+,20-,21-/m1/s1/i3D,4D,7D

InChIKey

InChIKey=KYQZWONCHDNPDP-KZZMWQAMSA-N

SMILES

O=C1C=2C(=C(C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=CC2)[2H])OC=C1C4=CC(=C(O)C(=C4)[2H])[2H]

Canonical SMILES

O=C1C(=COC2=CC(OC3OC(CO)C(O)C(O)C3O)=CC=C12)C=4C=CC(O)=CC4

Other Names for this Substance

  • 4H-1-Benzopyran-4-one-8-d, 7-(β-D-glucopyranosyloxy)-3-(4-hydroxyphenyl-3,5-d2)-