3beta-O-(4-Amino-4,6-Dideoxy-beta-D-glucopyranosyl)digitoxigenin
[CAS# 65955-49-9]

Identification

• Name: 3beta-O-(4-Amino-4,6-Dideoxy-beta-D-glucopyranosyl)digitoxigenin
• Synonyms: 4-[(3S,5R,8R,9S,10S,13R,17R)-3-[(2R,3R,4S,5S,6R)-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; 4-[(3S,5R,8R,9S,10S,13R,17R)-3-[[(2R,3R,4S,5S,6R)-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; 4-[(3S,5R,8R,9S,10S,13R,17R)-3-[(2R,3R,4S,5S,6R)-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
• Molecular Formula: C₂₉H₄₅NO₇
• Molecular Weight: 519.68
• CAS Registry Number: 65955-49-9
• SMILES: [C@H]14[C@@H]([C@@]3([C@H](CC1)C[C@@H](O[C@@H]2O[C@@H]([C@@H](N)[C@H](O)[C@H]2O)C)CC3)C)CC[C@]5(C4(O)CC[C@@H]5C6=CC(OC6)=O)C
• InChI: 1S/C29H45NO7/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/t15-,17-,18+,19-,20+,21-,23-,24+,25-,26+,27+,28-,29?/m1/s1
• InChIKey: IDPDVBWYOPBDLZ-DHJPIHCVSA-N

Properties

• Density: 1.296g/cm³ (Cal.)
• Boiling point: 695.278°C at 760 mmHg (Cal.)
• Flash point: 374.291°C (Cal.)