Pinacolone-d9

Product Specifications

CAS Number

42983-09-5

Synonyms

3,3-Di(methyl-d3)-2-butanone-4,4,4-d3

Hazard Statement

No Data Available

Smiles

CC(=O)NC1C(O)[C@@H](O)C(CO)O[C@H]1O[C@@H]2C(O)C(NC(=O)C)[C@H](Oc3ccc4C(=CC(=O)Oc4c3)C)OC2CO

Molecular Formula

C26 H34 N2 O13

Molecular Weight

582.554

InChI

InChI=1S/C26H34N2O13/c1-10-6-18(33)38-15-7-13(4-5-14(10)15)37-25-20(28-12(3)32)23(36)24(17(9-30)40-25)41-26-19(27-11(2)31)22(35)21(34)16(8-29)39-26/h4-7,16-17,19-26,29-30,34-36H,8-9H2,1-3H3,(H,27,31)(H,28,32)/t16?,17?,19?,20?,21-,22?,23?,24-,25+,26-/m0/s1

Additionnal Information

IUPAC name: N-[(2S,5R)-2-[(3R,6S)-5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-(4-methyl-2-oxochromen-7-yl)oxyoxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide