Digoxigenin Bisdigitoxoside

Product Specifications

CAS Number

5297-05-2

Synonyms

Card-20(22)-enolide, 3-[[2,6-dideoxy-4-O-(2,6-dideoxy-β-D-ribo-hexopyranosyl)-β-D-ribo-hexopyranosyl]oxy]-12,14-dihydroxy-, (3β,5β,12β)-; 5β-Card-20(22)-enolide, 3β,12β,14-trihydroxy-, didigitoxoside (7CI); 5β-Card-20(22)-enolide, 3β-[[2,6-dideoxy-4-O-(2,6-dideoxy-β-D-ribo-hexopyranosyl)-β-D-ribo-hexopyranosyl]oxy]-12β,14-dihydroxy- (8CI); Digoxigenin, didigitoxoside (6CI); (3β,5β,12β)-3-[[2,6-Dideoxy-4-O-(2,6-dideoxy-β-D-ribo-hexopyranosyl)-β-D-ribo-hexopyranosyl]oxy]-12,14-dihydroxycard-20(22)-enolide; Bisdigoxigenin; Digoxigenin bisdigitoxide; Digoxigenin bisdigitoxoside; 3β-[(2,6-Dideoxy-β-D-ribo-hexopyranosyl-(1→4)-2,6-dideoxy-β-D-ribo-hexopyranosyl)oxy]-12β,14-dihydroxy-5β-card-20(22)-enolide

Hazard Statement

Fatal if swallowed; UN number: UN2811; Packing Group: II

Purity

>95% (HPLC)

Smiles

C[C@H]1O[C@H](C[C@H](O)[C@@H]1O)O[C@H]2[C@@H](O)C[C@H](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)O[C@@H]2C

Molecular Formula

C35 H54 O11

Molecular Weight

650.8

InChI

InChI=1S/C35H54O11/c1-17-31(40)25(36)14-30(43-17)46-32-18(2)44-29(15-26(32)37)45-21-7-9-33(3)20(12-21)5-6-23-24(33)13-27(38)34(4)22(8-10-35(23,34)41)19-11-28(39)42-16-19/h11,17-18,20-27,29-32,36-38,40-41H,5-10,12-16H2,1-4H3/t17-,18-,20-,21+,22-,23-,24+,25+,26+,27-,29+,30+,31-,32-,33+,34+,35+/m1/s1

Additionnal Information

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