1-[2,4,6-Trihydroxy-3-[6-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranosyl]phenyl]ethanone

CAS Registry Number®

152041-19-5

CAS Name

1-[2,4,6-Trihydroxy-3-[6-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranosyl]phenyl]ethanone

Molecular Formula

C21H22O13

Molecular Mass

482.39

Cite this Page

1-[2,4,6-Trihydroxy-3-[6-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranosyl]phenyl]ethanone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=152041-19-5 (retrieved 2025-02-19) (CAS RN: 152041-19-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C21H22O13/c1-6(22)13-8(23)4-9(24)14(17(13)29)20-19(31)18(30)16(28)12(34-20)5-33-21(32)7-2-10(25)15(27)11(26)3-7/h2-4,12,16,18-20,23-31H,5H2,1H3/t12-,16-,18+,19-,20+/m1/s1

InChIKey

InChIKey=OSPSKZAEYSNSGH-PQSJUMPYSA-N

SMILES

OC1=C(C(O)=CC(O)=C1C(C)=O)[C@@H]2O[C@H](COC(=O)C3=CC(O)=C(O)C(O)=C3)[C@@H](O)[C@H](O)[C@H]2O

Canonical SMILES

O=C(OCC1OC(C=2C(O)=CC(O)=C(C(=O)C)C2O)C(O)C(O)C1O)C3=CC(O)=C(O)C(O)=C3

Other Names for this Substance

  • Ethanone, 1-[2,4,6-trihydroxy-3-[6-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranosyl]phenyl]-
  • Benzoic acid, 3,4,5-trihydroxy-, 6′-ester with 1-(3-β-D-glucopyranosyl-2,4,6-trihydroxyphenyl)ethanone
  • 1-[2,4,6-Trihydroxy-3-[6-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranosyl]phenyl]ethanone

CAS INSIGHTSTM
Lithium-ion battery