Analyte Name

Digitoxigenin Mono-beta-D-digitoxoside 3-((1-Oxopropan-2-yl)oxy)propanal

Molecular Formula

C35 H52 O10

Molecular Weight

632.781

Accurate Mass

632.356

SMILES

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

InChI

InChI=1S/C35H52O10/c1-20(18-37)42-30(10-14-36)45-32-21(2)43-31(17-28(32)38)44-24-7-11-33(3)23(16-24)5-6-27-26(33)8-12-34(4)25(9-13-35(27,34)40)22-15-29(39)41-19-22/h14-15,18,20-21,23-28,30-32,38,40H,5-13,16-17,19H2,1-4H3/t20?,21-,23-,24+,25-,26+,27-,28+,30?,31+,32-,33+,34-,35+/m1/s1

IUPAC

3-[(2R,3S,4S,6R)-4-hydroxy-6-[[(3S,5R,8R,9S,10S,13R,14S,17R)-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-3-yl]oxy]-2-methyloxan-3-yl]oxy-3-(1-oxopropan-2-yloxy)propanal

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat