Methyl 5-[[(3S,5R,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]Oxycarbonylmethylcarbamoyl]Pentanoate
[CAS# 81072-22-2]

Identification

• Name: Methyl 5-[[(3S,5R,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]Oxycarbonylmethylcarbamoyl]Pentanoate
• Synonyms: Methyl 6-[[2-[[(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-Oxo-Ethyl]Amino]-6-Oxo-Hexanoate; 6-[[2-[[(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-Oxoethyl]Amino]-6-Oxohexanoic Acid Methyl Ester; 6-[[2-[[(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-Keto-Ethyl]Amino]-6-Keto-Hexanoic Acid Methyl Ester
• Molecular Formula: C₃₂H₄₇NO₈
• Molecular Weight: 573.73
• CAS Registry Number: 81072-22-2
• SMILES: [C@H]13[C@@H]([C@@]2([C@H](CC1)C[C@@H](OC(=O)CNC(=O)CCCCC(OC)=O)CC2)C)CC[C@]4(C3(O)CC[C@@H]4C5=CC(OC5)=O)C
• InChI: 1S/C32H47NO8/c1-30-13-10-22(41-29(37)18-33-26(34)6-4-5-7-27(35)39-3)17-21(30)8-9-25-24(30)11-14-31(2)23(12-15-32(25,31)38)20-16-28(36)40-19-20/h16,21-25,38H,4-15,17-19H2,1-3H3,(H,33,34)/t21-,22+,23-,24+,25-,30+,31-,32?/m1/s1
• InChIKey: MOUNCCKDEBNFDK-NGLLPRLISA-N

Properties

• Density: 1.234g/cm³ (Cal.)
• Boiling point: 724.085°C at 760 mmHg (Cal.)
• Flash point: 391.712°C (Cal.)