Analyte Name

5-O-[(1,1-Dimethylethyl)dimethylsilyl] Ivermectin B1 Monosaccharide

CAS Number

134506-66-4

Molecular Formula

C47 H76 O11 Si

Molecular Weight

845.185

Accurate Mass

844.516

SMILES

CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]3C[C@@H](C\C=C(/C)\[C@@H](O[C@H]4C[C@H](OC)[C@@H](O)[C@H](C)O4)[C@@H](C)\C=C\C=C\5/CO[C@@H]6[C@H](O[Si](C)(C)C(C)(C)C)C(=C[C@@H](C(=O)O3)[C@]56O)C)O2

InChI

InChI=1S/C47H76O11Si/c1-14-27(2)41-30(5)20-21-46(57-41)25-35-23-34(56-46)19-18-29(4)40(55-38-24-37(51-11)39(48)32(7)53-38)28(3)16-15-17-33-26-52-43-42(58-59(12,13)45(8,9)10)31(6)22-36(44(49)54-35)47(33,43)50/h15-18,22,27-28,30,32,34-43,48,50H,14,19-21,23-26H2,1-13H3/b16-15+,29-18+,33-17+/t27-,28-,30-,32-,34+,35-,36-,37-,38-,39-,40-,41+,42+,43+,46+,47+/m0/s1

IUPAC

(1R,4S,5'S,6R,6'R,8R,10E,12S,13S,14E,16E,20R,21R,24S)-6'-[(2S)-butan-2-yl]-21-[tert-butyl(dimethyl)silyl]oxy-24-hydroxy-12-[(2R,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-5',11,13,22-tetramethylspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat