Analyte Name

Des-4-hydroxy-4-nitrobenzoate Digoxigenin Monodigitoxoside

Molecular Formula

C36 H47 N O11

Molecular Weight

669.759

Accurate Mass

669.315

SMILES

C[C@H]1O[C@H](C[C@@H](OC(=O)c2ccc(cc2)[N+](=O)[O-])[C@@H]1O)O[C@H]3CC[C@@]4(C)[C@H](CC[C@@H]5[C@@H]4C[C@@H](O)[C@]6(C)[C@H](CC[C@]56O)C7=CC(=O)OC7)C3

InChI

InChI=1S/C36H47NO11/c1-19-32(40)28(48-33(41)20-4-7-23(8-5-20)37(43)44)17-31(46-19)47-24-10-12-34(2)22(15-24)6-9-26-27(34)16-29(38)35(3)25(11-13-36(26,35)42)21-14-30(39)45-18-21/h4-5,7-8,14,19,22,24-29,31-32,38,40,42H,6,9-13,15-18H2,1-3H3/t19-,22-,24+,25-,26-,27+,28-,29-,31+,32-,34+,35+,36+/m1/s1

IUPAC

[(2R,3R,4R,6R)-6-[[(3S,5R,8R,9S,10S,12R,13S,14S,17R)-12,14-dihydroxy-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-3-yl]oxy]-3-hydroxy-2-methyloxan-4-yl] 4-nitrobenzoate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat