Analyte Name

Dopamine 4-O-beta-D-Glucopyranosiduronic Acid Methyl Ester 2,3,4-Triacetate Acetate

CAS Number

62346-12-7

Molecular Formula

C23H31NO13

Molecular Weight

529.49

Accurate Mass

529.1795

SMILES

COC(=O)[C@H]1O[C@@H](Oc2ccc(CCN)cc2O)[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@@H]1OC(=O)C.CC(=O)O

InChI

InChI=1S/C21H27NO11.C2H4O2/c1-10(23)29-16-17(30-11(2)24)19(31-12(3)25)21(33-18(16)20(27)28-4)32-15-6-5-13(7-8-22)9-14(15)26;1-2(3)4/h5-6,9,16-19,21,26H,7-8,22H2,1-4H3;1H3,(H,3,4)/t16-,17-,18-,19+,21+;/m0./s1

IUPAC

acetic acid;methyl (2S,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[4-(2-aminoethyl)-2-hydroxyphenoxy]oxane-2-carboxylate

Alternate CAS Number

Free Base: 62346-11-6

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat