3-beta-O-(4-Amino-4,6-dideoxy-beta-D-galactopyranosyl)digitoxigenin dihydrate
[CAS# 59006-00-7]

Identification

• Name: 3-beta-O-(4-Amino-4,6-dideoxy-beta-D-galactopyranosyl)digitoxigenin dihydrate
• Synonyms: 4-[3-(5-Amino-3,4-Dihydroxy-6-Methyl-Tetrahydropyran-2-Yl)Oxy-14-Hydroxy-10,13-Dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-17-Yl]-5H-Furan-2-One Dihydrate; 4-[3-[(5-Amino-3,4-Dihydroxy-6-Methyl-2-Tetrahydropyranyl)Oxy]-14-Hydroxy-10,13-Dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-17-Yl]-5H-Furan-2-One Dihydrate; 4-[3-(5-Amino-3,4-Dihydroxy-6-Methyl-Oxan-2-Yl)Oxy-14-Hydroxy-10,13-Dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-17-Yl]-5H-Furan-2-One Dihydrate
• Molecular Formula: C₂₉H₄₉NO₉
• Molecular Weight: 555.71
• CAS Registry Number: 59006-00-7
• SMILES: CC45C(O)(C1C(C3(C(CC1)CC(OC2OC(C(N)C(O)C2O)C)CC3)C)CC4)CCC5C6=CC(OC6)=O.O.O
• InChI: 1S/C29H45NO7.2H2O/c1-15-23(30)24(32)25(33)26(36-15)37-18-6-9-27(2)17(13-18)4-5-21-20(27)7-10-28(3)19(8-11-29(21,28)34)16-12-22(31)35-14-16;;/h12,15,17-21,23-26,32-34H,4-11,13-14,30H2,1-3H3;2*1H2
• InChIKey: GGAGHJPEAFYWMB-UHFFFAOYSA-N

Properties

• Boiling point: 695.3°C at 760 mmHg (Cal.)
• Flash point: 374.3°C (Cal.)