CAS Number
Molecular Formula
C7H6N2
Product format
Neat
Molecular Weight
118.14
Storage
+5°C
Shipping
Room Temperature
API Family
Synonyms
digitoxin; 71-63-6; Digitoxoside; Crystodigin; Carditoxin; Cristapurat; Digitophyllin; Digitoxinum; Unidigin; Cardigin; Digitoksin; Purpurid; Cardidigin; Glucodigin; Lanatoxin; Digitoxina; Digitoxine; Digicor; Digimerck; Digipural
Iupac Name
3-[(3S, 5R, 8R, 9S, 10S, 13R, 14S, 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-14-hydroxy-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/C41H64O13/c1-20-36(46)29(42)16-34(49-20)53-38-22(3)51-35(18-31(38)44)54-37-21(2)50-33(17-30(37)43)52-25-8-11-39(4)24(15-25)6-7-28-27(39)9-12-40(5)26(10-13-41(28,40)47)23-14-32(45)48-19-23/h14,20-22,24-31,33-38,42-44,46-47H,6-13,15-19H2,1-5H3/t20-,21-,22-,24-,25+,26-,27+,28-,29+,30+,31+,33+,34+,35+,36-,37-,38-,39+,40-,41+/m1/s1
