Analyte Name

Des-3-hydroxy-3-((tert-butyldimethylsilyl)oxy) Digoxigenin

CAS Number

374778-91-3

Molecular Formula

C29 H48 O5 Si

Molecular Weight

504.774

Accurate Mass

504.327

SMILES

CC(C)(C)[Si](C)(C)O[C@H]1CC[C@@]2(C)[C@H](CC[C@@H]3[C@@H]2C[C@@H](O)[C@]4(C)[C@H](CC[C@]34O)C5=CC(=O)OC5)C1

InChI

InChI=1S/C29H48O5Si/c1-26(2,3)35(6,7)34-20-10-12-27(4)19(15-20)8-9-22-23(27)16-24(30)28(5)21(11-13-29(22,28)32)18-14-25(31)33-17-18/h14,19-24,30,32H,8-13,15-17H2,1-7H3/t19-,20+,21-,22-,23+,24-,27+,28+,29+/m1/s1

IUPAC

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

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat