Digitoxigenin

Product Specifications

CAS Number

143-62-4

Synonyms

Digitoxigenin; (+)-Digitoxigenin; NSC 407806; Card-20(22)-enolide, 3,14-dihydroxy-, (3beta,5beta)-; 5beta-Card-20(22)-enolide, 3beta,14-dihydroxy- (6CI,7CI,8CI); Delta20:22-3,14,21-Trihydroxynorcholenic acid lactone

Hazard Statement

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

Purity

>95% (HPLC)

Smiles

C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4(C)[C@H](CC[C@]34O)C5=CC(=O)OC5

Molecular Formula

C23 H34 O4

Molecular Weight

374.51

InChI

InChI=1S/C23H34O4/c1-21-8-5-16(24)12-15(21)3-4-19-18(21)6-9-22(2)17(7-10-23(19,22)26)14-11-20(25)27-13-14/h11,15-19,24,26H,3-10,12-13H2,1-2H3/t15-,16+,17-,18+,19-,21+,22-,23+/m1/s1

Additionnal Information

IUPAC name: 3-[(3S,5R,8R,9S,10S,13R,14S,17R)-3,14-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