CAS Number
Molecular Formula
C36H56O14
Product format
Neat
Molecular Weight
712.83
API Family
Synonyms
DIGITALIN; Glucostrospeside; Digitalinum verum; 752-61-4; Digitalinum true; DIGITALINUM; Q15ECE254B; Gitoxigenin 3-O-glucosyldigitaloside; 3-[(3S, 5R, 8R, 9S, 10S, 13R, 14S, 16S, 17R)-14, 16-dihydroxy-3-[(2R, 3R, 4R, 5S, 6R)-3-hydroxy-4-methoxy-6-methyl-5-[(2S, 3R, 4S, 5S, 6R)-3, 4, 5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-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; CHEBI:28143; 3beta-(4-O-beta-D-Glucopyranosyl-3-O-methyl-6-deoxy-beta-D-galactopyranosyloxy)-14, 16beta-dihydroxy-5beta-card-20(22)-enolide; 3-((3S, 5R, 8R, 9S, 10S, 13R, 14S, 16S, 17R)-14, 16-dihydroxy-3-((2R, 3R, 4R, 5S, 6R)-3-hydroxy-4-methoxy-6-methyl-5-((2S, 3R, 4S, 5S, 6R)-3, 4, 5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxyoxan-2-yl)oxy-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; RefChem:57138; 212-036-6; Digitalum verum; Diginorgin; Digitalin (glycoside); Schmiedebergs digitalin; Gitoxigenin-glucodigitalosid; UNII-Q15ECE254B
Iupac Name
3-[(3S, 5R, 8R, 9S, 10S, 13R, 14S, 16S, 17R)-14, 16-dihydroxy-3-[(2R, 3R, 4R, 5S, 6R)-3-hydroxy-4-methoxy-6-methyl-5-[(2S, 3R, 4S, 5S, 6R)-3, 4, 5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-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/C36H56O14/c1-16-30(50-32-28(42)27(41)26(40)23(14-37)49-32)31(45-4)29(43)33(47-16)48-19-7-9-34(2)18(12-19)5-6-21-20(34)8-10-35(3)25(17-11-24(39)46-15-17)22(38)13-36(21,35)44/h11,16,18-23,25-33,37-38,40-44H,5-10,12-15H2,1-4H3/t16-,18-,19+,20+,21-,22+,23-,25+,26-,27+,28-,29-,30+,31-,32+,33+,34+,35-,36+/m1/s1
