Des-3-hydroxy-3-((tert-butyldimethylsilyl)oxy) 12beta-Aacetyldigoxigenin

Analyte Name

Des-3-hydroxy-3-((tert-butyldimethylsilyl)oxy) 12beta-Aacetyldigoxigenin

Molecular Formula

C31 H50 O6 Si

Molecular Weight

546.811

Accurate Mass

546.338

SMILES

CC(=O)O[C@@H]1C[C@H]2[C@@H](CC[C@@H]3C[C@H](CC[C@]23C)O[Si](C)(C)C(C)(C)C)[C@@]4(O)CC[C@H](C5=CC(=O)OC5)[C@@]14C

InChI

InChI=1S/C31H50O6Si/c1-19(32)36-26-17-25-24(31(34)14-12-23(30(26,31)6)20-15-27(33)35-18-20)10-9-21-16-22(11-13-29(21,25)5)37-38(7,8)28(2,3)4/h15,21-26,34H,9-14,16-18H2,1-8H3/t21-,22+,23-,24-,25+,26-,29+,30+,31+/m1/s1

IUPAC

[(3S,5R,8R,9S,10S,12R,13S,14S,17R)-3-[tert-butyl(dimethyl)silyl]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