CAS Number
Molecular Formula
C41H64O15
Product format
Neat
Molecular Weight
796.96
Storage
+5ºC
Shipping
Room Temperature
API Family
Synonyms
Diginatin; 52589-12-5; Diginatigenin 3-O-tridigitoxoside; Diginatigenin-tridigitoxosid; DIGINATIN [MI]; EINECS 258-028-6; Diginatigenin-tridigitoxosid [German]; UNII-41E2842504; 3-[(3S, 5R, 8R, 9S, 10S, 12R, 13S, 14S, 16S, 17R)-3-[(2R, 4S, 5S, 6R)-5-[(2S, 4S, 5S, 6R)-5-[(2S, 4S, 5S, 6R)-4, 5-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-12, 14, 16-trihydroxy-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; BRN 0077168; CHEBI:27614; 4-18-00-03089 (Beilstein Handbook Reference); 41E2842504; DIGOXIN IMPURITY F [EP IMPURITY]; 3beta-[2, 6-dideoxy-beta-D-ribo-hexopyranosyl-(1-4)-2, 6-dideoxy-beta-D-ribo-hexopyranosyl-(1-4)-2, 6-dideoxy-beta-D-ribo-hexopyranosyloxy]-12beta, 14, 16beta-trihydroxy-5beta-card-20(22)-enolide; DIGOXIN IMPURITY F (EP IMPURITY); 3beta-[2, 6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2, 6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2, 6-dideoxy-beta-D-ribo-hexopyranosyloxy]-12beta, 14, 16beta-trihydroxy-5beta-card-20(22)-enolide; CARD-20(22)-ENOLIDE, 3-((O-2, 6-DIDEOXY-.BETA.-D-RIBO-HEXOPYRANOSYL-(1->4)-O-2, 6-DIDEOXY-.BETA.-D-RIBO-HEXOPYRANOSYL-(1->4)-2, 6-DIDEOXY-.BETA.-D-RIBO-HEXOPYRANOSYL)OXY)-12, 14, 16-TRIHYDROXY-, (3.BETA., 5.BETA., 12.BETA., 16.BETA.)-; Card-20(22)-enolide, 3-((O-2, 6-dideoxy-beta-D-ribo-hexopyranosyl-(1-4)-O-2, 6-dideoxy-beta-D-ribo-hexopyranosyl-(1, 4)-2, 6-dideoxy-beta-D-ribo-hexopyranosyl)oxy)-12, 14, 16-trihydroxy-, (3-beta, 5-beta, 12-beta, 16-beta)-; 3-((3S, 5R, 8R, 9S, 10S, 12R, 13S, 14S, 16S, 17R)-3-((2R, 4S, 5S, 6R)-5-((2S, 4S, 5S, 6R)-5-((2S, 4S, 5S, 6R)-4, 5-dihydroxy-6-methyloxan-2-yl)oxy-4-hydroxy-6-methyloxan-2-yl)oxy-4-hydroxy-6-methyloxan-2-yl)oxy-12, 14, 16-trihydroxy-10, 13-dimethyl-1, 2, 3, 4, 5, 6, 7, 8, 9, 11, 12, 15, 16 and 17-tetradecahydrocyclopenta(a)phenanthren-17-yl)-2H-furan-5-one
Iupac Name
3-[(3S, 5R, 8R, 9S, 10S, 12R, 13S, 14S, 16S, 17R)-3-[(2R, 4S, 5S, 6R)-5-[(2S, 4S, 5S, 6R)-5-[(2S, 4S, 5S, 6R)-4, 5-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-12, 14, 16-trihydroxy-10, 13-dimethyl-1, 2, 3, 4, 5, 6, 7, 8, 9, 11, 12, 15, 16 and 17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
InChI
InChI=1S/C41H64O15/c1-18-36(48)26(42)13-33(51-18)55-38-20(3)53-34(15-28(38)44)56-37-19(2)52-32(14-27(37)43)54-23-8-9-39(4)22(11-23)6-7-24-25(39)12-30(46)40(5)35(21-10-31(47)50-17-21)29(45)16-41(24,40)49/h10,18-20,22-30,32-38,42-46,48-49H,6-9,11-17H2,1-5H3/t18-,19-,20-,22-,23+,24-,25+,26+,27+,28+,29+,30-,32+,33+,34+,35+,36-,37-,38-,39+,40-,41+/m1/s1
