[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 ,6-Pentahydroxyhexylideneamino)Acetate
[CAS 81072-28-8]

Identification

• Name: [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 ,6-Pentahydroxyhexylideneamino)Acetate
• Synonyms: 2-(2,3,4,5,6-Pentahydroxyhexylideneamino)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-(2,3,4,5,6-Pentahydroxyhexylideneamino)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-(2,3,4,5,6-Pentahydroxyhexylideneamino)Ethanoate
• Molecular Formula: C₃₁H₄₇NO₁₀
• Molecular Weight: 593.71
• CAS Registry Number: 81072-28-8
• SMILES: C(N=CC(O)C(O)C(O)C(O)CO)C(OC5CC4C(C3C(C1(O)C(C(CC1)C2=CC(OC2)=O)(CC3)C)CC4)(CC5)C)=O
• InChI: 1S/C31H47NO10/c1-29-8-5-19(42-26(37)14-32-13-23(34)27(38)28(39)24(35)15-33)12-18(29)3-4-22-21(29)6-9-30(2)20(7-10-31(22,30)40)17-11-25(36)41-16-17/h11,13,18-24,27-28,33-35,38-40H,3-10,12,14-16H2,1-2H3
• InChIKey: SCMYLIWDCTWJJB-UHFFFAOYSA-N

Properties

• Density: 1.49g/cm³ (Cal.)
• Boiling point: 850.34°C at 760 mmHg (Cal.)
• Flash point: 468.069°C (Cal.)