β-D-Glucopyranuronic acid, 1-[(αS)-α-methyl-4-(2-methylpropyl)benzeneacetate]

CAS Registry Number®

98649-76-4

CAS Name

β-D-Glucopyranuronic acid, 1-[(αS)-α-methyl-4-(2-methylpropyl)benzeneacetate]

Molecular Formula

C19H26O8

Molecular Mass

382.40

Cite this Page

β-D-Glucopyranuronic acid, 1-[(αS)-α-methyl-4-(2-methylpropyl)benzeneacetate].   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=98649-76-4 (retrieved 2024-11-24) (CAS RN: 98649-76-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C19H26O8/c1-9(2)8-11-4-6-12(7-5-11)10(3)18(25)27-19-15(22)13(20)14(21)16(26-19)17(23)24/h4-7,9-10,13-16,19-22H,8H2,1-3H3,(H,23,24)/t10-,13-,14-,15+,16-,19-/m0/s1

InChIKey

InChIKey=ABOLXXZAJIAUGR-LEBSGKMFSA-N

SMILES

O(C([C@@H](C)C1=CC=C(CC(C)C)C=C1)=O)[C@@H]2O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]2O

Canonical SMILES

O=C(O)C1OC(OC(=O)C(C2=CC=C(C=C2)CC(C)C)C)C(O)C(O)C1O

Other Names for this Substance

  • β-D-Glucopyranuronic acid, 1-[(αS)-α-methyl-4-(2-methylpropyl)benzeneacetate]
  • β-D-Glucopyranuronic acid, 1-[α-methyl-4-(2-methylpropyl)benzeneacetate], (S)-
  • (S)-Ibuprofen glucuronide

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