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94452-17-2 , 6-HMU galactoside; KRB; 6-Hexadecanoylamino-4-methylumbelliferyl b-D-galactopyranoside

94452-17-2 , 6-HMU galactoside; KRB;
6-Hexadecanoylamino-4-methylumbelliferyl b-D-galactopyranoside
C32H49NO9 / 591.73
MFCD06796945

6-HMU galactoside; KRB

6-Hexadecanoylamino-4-methylumbelliferyl b-D-galactopyranoside

A substrate used for the diagnosis of Krabbe disease.

CAS Number94452-17-2
Product Name2-methyl-N-[4-methyl-2-oxo-7-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-6-yl]pentadecanamide
IUPAC Name2-methyl-N-[4-methyl-2-oxo-7-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-6-yl]pentadecanamide
Molecular FormulaC32H49NO9
Molecular Weight591.7 g/mol
InChIInChI=1S/C32H49NO9/c1-4-5-6-7-8-9-10-11-12-13-14-15-20(2)31(39)33-23-17-22-21(3)16-27(35)40-24(22)18-25(23)41-32-30(38)29(37)28(36)26(19-34)42-32/h16-18,20,26,28-30,32,34,36-38H,4-15,19H2,1-3H3,(H,33,39)/t20?,26-,28+,29+,30-,32-/m1/s1
InChI KeyXDIAFMWEZYIYBM-XLACBCRZSA-N
SMILESCCCCCCCCCCCCCC(C)C(=O)NC1=C(C=C2C(=C1)C(=CC(=O)O2)C)OC3C(C(C(C(O3)CO)O)O)O
Synonyms6-HDA-MUBF-GP, 6-hexadecanoylamino-4-methylumbelliferyl-beta-galactopyranoside, 6-hexadecanoylamino-4-methylumbelliferyl-galactopyranoside
Canonical SMILESCCCCCCCCCCCCCC(C)C(=O)NC1=C(C=C2C(=C1)C(=CC(=O)O2)C)OC3C(C(C(C(O3)CO)O)O)O
Isomeric SMILESCCCCCCCCCCCCCC(C)C(=O)NC1=C(C=C2C(=C1)C(=CC(=O)O2)C)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O


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