3-(1,1-Dimethylheptyl)phenol beta-D-Glucopyranosiduronic Acid
Product Code
TRC-D473340-500MG
Product Format
Neat
Molecular Formula
C21 H32 O7
Molecular Weight
396.475
Product Categories
Product Information
Chemical Data
Analyte Name
3-(1,1-Dimethylheptyl)phenol beta-D-Glucopyranosiduronic Acid
Molecular Formula
C21 H32 O7
Molecular Weight
396.475
Accurate Mass
396.215
SMILES
CCCCCCC(C)(C)c1cccc(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(=O)O)c1
InChI
InChI=1S/C21H32O7/c1-4-5-6-7-11-21(2,3)13-9-8-10-14(12-13)27-20-17(24)15(22)16(23)18(28-20)19(25)26/h8-10,12,15-18,20,22-24H,4-7,11H2,1-3H3,(H,25,26)/t15-,16-,17+,18-,20+/m0/s1
IUPAC
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[3-(2-methyloctan-2-yl)phenoxy]oxane-2-carboxylic acid
Product Data
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Format
Neat