126938-14-5 , 4甲基伞形酮-b-D-半乳糖苷-6磷酸钠盐,
4-Methylumbelliferyl b-D-galactopyranoside-6-sulphate sodium salt
C16H17NaO11S / 440.36
MFCD01861961
4甲基伞形酮-b-D-半乳糖苷-6磷酸钠盐
CAS Number | 126938-14-5 |
Product Name | [(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-(4-methyl-2-oxochromen-7-yl)oxyoxan-2-yl]methyl hydrogen sulfate |
IUPAC Name | [(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-(4-methyl-2-oxochromen-7-yl)oxyoxan-2-yl]methyl hydrogen sulfate |
Molecular Formula | C16H18O11S |
Molecular Weight | 418.4 g/mol |
InChI | InChI=1S/C16H18O11S/c1-7-4-12(17)26-10-5-8(2-3-9(7)10)25-16-15(20)14(19)13(18)11(27-16)6-24-28(21,22)23/h2-5,11,13-16,18-20H,6H2,1H3,(H,21,22,23)/t11-,13+,14+,15-,16-/m1/s1 |
InChI Key | PAMBMLAUEGWIPT-DZQJYWQESA-N |
SMILES | CC1=CC(=O)OC2=C1C=CC(=C2)OC3C(C(C(C(O3)COS(=O)(=O)O)O)O)O |
Synonyms | 4-methylumbelliferyl-6-sulfogalactoside, 4-methylumbelliferyl-6-thiogalactoside, 4-UBSG |
Canonical SMILES | CC1=CC(=O)OC2=C1C=CC(=C2)OC3C(C(C(C(O3)COS(=O)(=O)O)O)O)O |
Isomeric SMILES | CC1=CC(=O)OC2=C1C=CC(=C2)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)COS(=O)(=O)O)O)O)O |
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