Des-3-hydroxy-3-(4,5-bis((tert-butyldiphenylsilyl)oxy))-6-methyltetrahydro-2H-pyran-2-yl)oxy) 12beta-Acetyldigoxigenin

Analyte Name

((3S,5R,8R,9S,10S,12R,13S,14S,17R)-3-((2R,4S,5R,6R)-4,5-bis((tert-butyl(diphenyl)silyl)oxy)-6-methyloxan-2-yl)oxy-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta(a)phenanthren-12-yl) acetate

Molecular Formula

C63 H82 O9 Si2

Molecular Weight

1039.491

Accurate Mass

1038.55

SMILES

C[C@H]1O[C@H](C[C@H](O[Si](c2ccccc2)(c3ccccc3)C(C)(C)C)[C@@H]1O[Si](c4ccccc4)(c5ccccc5)C(C)(C)C)O[C@H]6CC[C@@]7(C)[C@H](CC[C@@H]8[C@@H]7C[C@@H](OC(=O)C)[C@]9(C)[C@H](CC[C@]89O)C%10=CC(=O)OC%10)C6

InChI

InChI=1S/C63H82O9Si2/c1-42-58(72-74(60(6,7)8,49-27-19-13-20-28-49)50-29-21-14-22-30-50)54(71-73(59(3,4)5,47-23-15-11-16-24-47)48-25-17-12-18-26-48)40-57(68-42)70-46-33-35-61(9)45(38-46)31-32-52-53(61)39-55(69-43(2)64)62(10)51(34-36-63(52,62)66)44-37-56(65)67-41-44/h11-30,37,42,45-46,51-55,57-58,66H,31-36,38-41H2,1-10H3/t42-,45-,46+,51-,52-,53+,54+,55-,57+,58-,61+,62+,63+/m1/s1

IUPAC

[(3S,5R,8R,9S,10S,12R,13S,14S,17R)-3-[(2R,4S,5R,6R)-4,5-bis[[tert-butyl(diphenyl)silyl]oxy]-6-methyloxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-12-yl] acetate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat