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
C19H26O8Molecular Mass
382.40Cite 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 ) (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