Analyte Name

alpha-D-Digitoxopyranosyl-oxy 12beta-Acetyldigoxigenin

CAS Number

2611152-01-1

Molecular Formula

C31H46O9

Molecular Weight

562.7

Accurate Mass

562.3142

SMILES

C[C@H]1O[C@H](C[C@H](O)[C@@H]1O)O[C@H]2CC[C@@]3(C)[C@H](CC[C@@H]4[C@@H]3C[C@@H](OC(=O)C)[C@]5(C)[C@H](CC[C@]45O)C6=CC(=O)OC6)C2

InChI

InChI=1S/C31H46O9/c1-16-28(35)24(33)14-27(38-16)40-20-7-9-29(3)19(12-20)5-6-22-23(29)13-25(39-17(2)32)30(4)21(8-10-31(22,30)36)18-11-26(34)37-15-18/h11,16,19-25,27-28,33,35-36H,5-10,12-15H2,1-4H3/t16-,19-,20+,21-,22-,23+,24+,25-,27+,28-,29+,30+,31+/m1/s1

IUPAC

[(3S,5R,8R,9S,10S,12R,13S,14S,17R)-3-[(2R,4S,5S,6R)-4,5-dihydroxy-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