Acarbose Dodecaacetate Bromide

Analyte Name

Acarbose Dodecaacetate Bromide

CAS Number

68107-36-8

Molecular Formula

C49 H66 Br N O29

Molecular Weight

1212.942

Accurate Mass

1211.29

SMILES

C[C@H]1O[C@H](O[C@@H]2[C@@H](COC(=O)C)O[C@H](O[C@@H]3[C@@H](COC(=O)C)O[C@H](Br)[C@H](OC(=O)C)[C@H]3OC(=O)C)[C@H](OC(=O)C)[C@H]2OC(=O)C)[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@@H]1N[C@H]4C=C(COC(=O)C)[C@H](OC(=O)C)[C@H](OC(=O)C)[C@H]4OC(=O)C

InChI

InChI=1S/C49H66BrNO29/c1-18-35(51-32-14-31(15-64-19(2)52)36(68-22(5)55)41(71-25(8)58)37(32)69-23(6)56)40(70-24(7)57)45(75-29(12)62)48(67-18)79-39-34(17-66-21(4)54)78-49(46(76-30(13)63)43(39)73-27(10)60)80-38-33(16-65-20(3)53)77-47(50)44(74-28(11)61)42(38)72-26(9)59/h14,18,32-49,51H,15-17H2,1-13H3/t18-,32+,33-,34-,35-,36+,37+,38-,39-,40+,41+,42+,43+,44-,45-,46-,47+,48-,49-/m1/s1

IUPAC

[(2R,3R,4S,5R,6R)-4,5-diacetyloxy-6-[(2R,3R,4S,5R,6R)-4,5-diacetyloxy-2-(acetyloxymethyl)-6-bromooxan-3-yl]oxy-3-[(2R,3R,4S,5R,6R)-3,4-diacetyloxy-6-methyl-5-[[(1S,4S,5S,6S)-4,5,6-triacetyloxy-3-(acetyloxymethyl)cyclohex-2-en-1-yl]amino]oxan-2-yl]oxyoxan-2-yl]methyl acetate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat