methyl (4S,5R,6R)-4-(acetyloxy)-5-acetamido-2-(phenylsulfanyl)-6-[(1S,2R)-1,2,3-tris(acetyloxy)propyl]oxane-2-carboxylate

CAS: 155155-64-9

Formula: C26H33NO12S

SMILES: COC(=O)C1(C[C@H](OC(C)=O)[C@@H](NC(C)=O)[C@@H](O1)[C@H](OC(C)=O)[C@@H](COC(C)=O)OC(C)=O)SC1=CC=CC=C1

IUPAC: methyl (4S,5R,6R)-4-(acetyloxy)-5-acetamido-2-(phenylsulfanyl)-6-[(1S,2R)-1,2,3-tris(acetyloxy)propyl]oxane-2-carboxylate

InChI: InChI=1S/C26H33NO12S/c1-14(28)27-22-20(36-16(3)30)12-26(25(33)34-6,40-19-10-8-7-9-11-19)39-24(22)23(38-18(5)32)21(37-17(4)31)13-35-15(2)29/h7-11,20-24H,12-13H2,1-6H3,(H,27,28)/t20-,21+,22+,23+,24+,26?/m0/s1

Composition: C (53.51%), H (5.70%), N (2.40%), O (32.90%), S (5.49%)

Molar Mass: 583.61

Atom Count: 73

Heavy Atom Count: 40