Catalog Number:
AG008H9O
Chemical Name:
Octyl 2,3,4,6-tetra-O-acetyl-b-D-thioglucopyranoside
CAS Number:
85618-26-4
Molecular Formula:
C22H36O9S
Molecular Weight:
476.5808
MDL Number:
MFCD04039659
IUPAC Name:
[(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-octylsulfanyloxan-2-yl]methyl acetate
InChI:
InChI=1S/C22H36O9S/c1-6-7-8-9-10-11-12-32-22-21(30-17(5)26)20(29-16(4)25)19(28-15(3)24)18(31-22)13-27-14(2)23/h18-22H,6-13H2,1-5H3/t18-,19-,20+,21-,22+/m1/s1
InChI Key:
XIROMIKWUKFPAA-BDHVOXNPSA-N
SMILES:
CCCCCCCCS[C@@H]1O[C@H](COC(=O)C)[C@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)OC(=O)C
