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94452-17-2 , 6-HMU galactoside; KRB;
6-Hexadecanoylamino-4-methylumbelliferyl b-D-galactopyranoside
C32H49NO9 / 591.73
MFCD06796945
6-Hexadecanoylamino-4-methylumbelliferyl b-D-galactopyranoside
A substrate used for the diagnosis of Krabbe disease.
| CAS Number | 94452-17-2 |
| Product Name | 2-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 Name | 2-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 Formula | C32H49NO9 |
| Molecular Weight | 591.7 g/mol |
| InChI | InChI=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 Key | XDIAFMWEZYIYBM-XLACBCRZSA-N |
| SMILES | CCCCCCCCCCCCCC(C)C(=O)NC1=C(C=C2C(=C1)C(=CC(=O)O2)C)OC3C(C(C(C(O3)CO)O)O)O |
| Synonyms | 6-HDA-MUBF-GP, 6-hexadecanoylamino-4-methylumbelliferyl-beta-galactopyranoside, 6-hexadecanoylamino-4-methylumbelliferyl-galactopyranoside |
| Canonical SMILES | CCCCCCCCCCCCCC(C)C(=O)NC1=C(C=C2C(=C1)C(=CC(=O)O2)C)OC3C(C(C(C(O3)CO)O)O)O |
| Isomeric SMILES | CCCCCCCCCCCCCC(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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