3-(4-Azido-3-iodophenyl)propionamide-4-(4,6-dideoxyglucosyl)digitoxigenin
[CAS# 112761-66-7]

Identification

• Name: 3-(4-Azido-3-iodophenyl)propionamide-4-(4,6-dideoxyglucosyl)digitoxigenin
• Synonyms: 3-(4-Azido-3-Iodo-Phenyl)-N-[(2R,3S,4S,5R,6R)-4,5-Dihydroxy-6-[[(3S,5R,8R,9S,10S,13R,17R)-14-Hydroxy-10,13-Dimethyl-17-(5-Oxo-2H-Furan-3-Yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-3-Yl]Oxy]-2-Methyl-Tetrahydropyran-3-Yl]Propanamide; 3-(4-Azido-3-Iodophenyl)-N-[(2R,3S,4S,5R,6R)-4,5-Dihydroxy-6-[[(3S,5R,8R,9S,10S,13R,17R)-14-Hydroxy-10,13-Dimethyl-17-(5-Oxo-2H-Furan-3-Yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-3-Yl]Oxy]-2-Methyl-3-Tetrahydropyranyl]Propanamide; 3-(4-Azido-3-Iodo-Phenyl)-N-[(2R,3S,4S,5R,6R)-4,5-Dihydroxy-6-[[(3S,5R,8R,9S,10S,13R,17R)-14-Hydroxy-17-(5-Keto-2H-Furan-3-Yl)-10,13-Dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-3-Yl]Oxy]-2-Methyl-Tetrahydropyran-3-Yl]Propionamide
• Molecular Formula: C₃₈H₅₁IN₄O₈
• Molecular Weight: 818.75
• CAS Registry Number: 112761-66-7
• SMILES: [N+](=NC7=CC=C(CCC(=O)N[C@H]6[C@H](O)[C@@H](O)[C@H](O[C@@H]5C[C@@H]4[C@@]([C@@H]3[C@H](C1(O)[C@@]([C@H](CC1)C2=CC(OC2)=O)(CC3)C)CC4)(CC5)C)O[C@@H]6C)C=C7I)=[N-]
• InChI: 1S/C38H51IN4O8/c1-20-32(41-30(44)9-5-21-4-8-29(42-43-40)28(39)16-21)33(46)34(47)35(50-20)51-24-10-13-36(2)23(18-24)6-7-27-26(36)11-14-37(3)25(12-15-38(27,37)48)22-17-31(45)49-19-22/h4,8,16-17,20,23-27,32-35,46-48H,5-7,9-15,18-19H2,1-3H3,(H,41,44)/t20-,23-,24+,25-,26+,27-,32-,33+,34-,35+,36+,37-,38?/m1/s1
• InChIKey: HVHGGOOPLAXKON-JKJQPJGOSA-N