Digitoxigenin-3-beta-N-L-rhamnosylglycyl ester
[CAS# 81072-29-9]

Identification

• Name: Digitoxigenin-3-beta-N-L-rhamnosylglycyl ester
• Synonyms: 2-(2,3,4,5-Tetrahydroxyhexylideneamino)Acetic Acid [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] Ester; 2-(2,3,4,5-Tetrahydroxyhexylideneamino)Acetic Acid [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] Ester; [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] 2-(2,3,4,5-Tetrahydroxyhexylideneamino)Ethanoate
• Molecular Formula: C₃₁H₄₇NO₉
• Molecular Weight: 577.71
• CAS Registry Number: 81072-29-9
• SMILES: C(N=CC(O)C(O)C(O)C(O)C)C(OC5CC4C(C3C(C1(O)C(C(CC1)C2=CC(OC2)=O)(CC3)C)CC4)(CC5)C)=O
• InChI: 1S/C31H47NO9/c1-17(33)27(37)28(38)24(34)14-32-15-26(36)41-20-6-9-29(2)19(13-20)4-5-23-22(29)7-10-30(3)21(8-11-31(23,30)39)18-12-25(35)40-16-18/h12,14,17,19-24,27-28,33-34,37-39H,4-11,13,15-16H2,1-3H3
• InChIKey: WKIVBZWPTBUZTN-UHFFFAOYSA-N

Properties

• Density: 1.443g/cm³ (Cal.)
• Boiling point: 801.203°C at 760 mmHg (Cal.)
• Flash point: 438.352°C (Cal.)