[[(1S)-1-[[(8R,9S,10S,13R,17S)-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]Oxycarbonyl]Ethyl]Amino]Methyl 2,2-Dimethylpropanoate
[CAS# 81072-26-6]

Identification

• Name: [[(1S)-1-[[(8R,9S,10S,13R,17S)-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]Oxycarbonyl]Ethyl]Amino]Methyl 2,2-Dimethylpropanoate
• Synonyms: [[(1S)-2-[[(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]-1-Methyl-2-Oxo-Ethyl]Amino]Methyl 2,2-Dimethylpropanoate; 2,2-Dimethylpropanoic Acid [[(1S)-2-[[(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]-1-Methyl-2-Oxoethyl]Amino]Methyl Ester; 2,2-Dimethylpropionic Acid [[(1S)-2-[[(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-Keto-1-Methyl-Ethyl]Amino]Methyl Ester
• Molecular Formula: C₃₂H₄₉NO₇
• Molecular Weight: 559.74
• CAS Registry Number: 81072-26-6
• SMILES: [C@H]34C1(O)[C@@]([C@H](CC1)C2=CC(OC2)=O)(CC[C@@H]3[C@@]5(C(CC4)CC(OC(=O)[C@@H](NCOC(=O)C(C)(C)C)C)CC5)C)C
• InChI: 1S/C32H49NO7/c1-19(33-18-39-28(36)29(2,3)4)27(35)40-22-9-12-30(5)21(16-22)7-8-25-24(30)10-13-31(6)23(11-14-32(25,31)37)20-15-26(34)38-17-20/h15,19,21-25,33,37H,7-14,16-18H2,1-6H3/t19-,21?,22?,23+,24-,25+,30-,31+,32?/m0/s1
• InChIKey: FNPZKDSVIYUSIV-FOYWFDDNSA-N

Properties

• Density: 1.193g/cm³ (Cal.)
• Boiling point: 662.608°C at 760 mmHg (Cal.)
• Flash point: 354.533°C (Cal.)