Methyl 4-[(6-O-α-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-3-hydroxybenzenepropanoate

CAS Registry Number®

134860-04-1

CAS Name

Methyl 4-[(6-O-α-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-3-hydroxybenzenepropanoate

Molecular Formula

C22H32O14

Molecular Mass

520.48

Cite this Page

Methyl 4-[(6-O-α-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-3-hydroxybenzenepropanoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=134860-04-1 (retrieved 2025-02-19) (CAS RN: 134860-04-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C22H32O14/c1-32-14(25)5-3-9-2-4-11(10(24)6-9)34-22-20(31)18(29)16(27)13(36-22)8-33-21-19(30)17(28)15(26)12(7-23)35-21/h2,4,6,12-13,15-24,26-31H,3,5,7-8H2,1H3/t12-,13-,15-,16-,17+,18+,19-,20-,21+,22-/m1/s1

InChIKey

InChIKey=YLQXQJFWCRRNGA-MSGOSAFOSA-N

SMILES

O([C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)C3=C(O)C=C(CCC(OC)=O)C=C3

Canonical SMILES

O=C(OC)CCC1=CC=C(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)C(O)=C1

Other Names for this Substance

  • Benzenepropanoic acid, 4-[(6-O-α-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-3-hydroxy-, methyl ester
  • Methyl 4-[(6-O-α-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-3-hydroxybenzenepropanoate

CAS INSIGHTSTM
Lithium-ion battery