Ethanone, 1-[8-[[6-O-(carboxycarbonyl)-β-D-glucopyranosyl]oxy]-1-hydroxy-6-methoxy-3-methyl-2-naphthalenyl]-

CAS Registry Number®

64078-76-8
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CAS Name

Ethanone, 1-[8-[[6-O-(carboxycarbonyl)-β-D-glucopyranosyl]oxy]-1-hydroxy-6-methoxy-3-methyl-2-naphthalenyl]-

Molecular Formula

C22H24O12

Molecular Mass

480.42

Cite this Page

Ethanone, 1-[8-[[6-O-(carboxycarbonyl)-β-D-glucopyranosyl]oxy]-1-hydroxy-6-methoxy-3-methyl-2-naphthalenyl]-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=64078-76-8 (retrieved 2024-09-21) (CAS RN: 64078-76-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C22H24O12/c1-8-4-10-5-11(31-3)6-12(15(10)17(25)14(8)9(2)23)33-22-19(27)18(26)16(24)13(34-22)7-32-21(30)20(28)29/h4-6,13,16,18-19,22,24-27H,7H2,1-3H3,(H,28,29)/t13-,16-,18+,19-,22-/m1/s1

InChIKey

InChIKey=DVKQFBNYDILOTK-FSFQXNNFSA-N

SMILES

O(C=1C2=C(C=C(OC)C1)C=C(C)C(C(C)=O)=C2O)[C@@H]3O[C@H](COC(C(O)=O)=O)[C@@H](O)[C@H](O)[C@H]3O

Canonical SMILES

O=C(O)C(=O)OCC1OC(OC2=CC(OC)=CC=3C=C(C(C(=O)C)=C(O)C23)C)C(O)C(O)C1O

Other Names for this Substance

  • Ethanone, 1-[8-[[6-O-(carboxycarbonyl)-β-D-glucopyranosyl]oxy]-1-hydroxy-6-methoxy-3-methyl-2-naphthalenyl]-
  • Ethanedioic acid, 6′-ester with 1-[8-(β-D-glucopyranosyloxy)-1-hydroxy-6-methoxy-3-methyl-2-naphthalenyl]ethanone