[(3S,5R,8R,9S,10S,12R,13S,17R)-12,14-Dihydroxy-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] 4-[[4-[[3-(2,5-Dioxopyrrol-1-Yl)Benzoyl]Amino]Phenyl]Amino]-4-Oxobutanoate
[CAS# 75804-34-1]

Identification

• Name: [(3S,5R,8R,9S,10S,12R,13S,17R)-12,14-Dihydroxy-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] 4-[[4-[[3-(2,5-Dioxopyrrol-1-Yl)Benzoyl]Amino]Phenyl]Amino]-4-Oxobutanoate
• Synonyms: [(3S,5R,8R,9S,10S,12R,13S,17R)-12,14-Dihydroxy-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] 4-[[4-[[3-(2,5-Dioxopyrrol-1-Yl)Benzoyl]Amino]Phenyl]Amino]-4-Oxo-Butanoate; 4-[[4-[[[3-(2,5-Dioxo-1-Pyrrolyl)Phenyl]-Oxomethyl]Amino]Phenyl]Amino]-4-Oxobutanoic Acid [(3S,5R,8R,9S,10S,12R,13S,17R)-12,14-Dihydroxy-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; 4-Keto-4-[[4-[(3-Maleimidobenzoyl)Amino]Phenyl]Amino]Butyric Acid [(3S,5R,8R,9S,10S,12R,13S,17R)-12,14-Dihydroxy-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
• Molecular Formula: C₄₄H₄₉N₃O₁₀
• Molecular Weight: 779.89
• CAS Registry Number: 75804-34-1
• SMILES: [C@H]16[C@@H]([C@@]5([C@H](CC1)C[C@@H](OC(=O)CCC(=O)NC4=CC=C(NC(=O)C2=CC=CC(=C2)N3C(=O)C=CC3=O)C=C4)CC5)C)C[C@@H](O)[C@]7(C6(O)CC[C@@H]7C8=CC(OC8)=O)C
• InChI: 1S/C44H49N3O10/c1-42-18-16-31(22-27(42)6-11-33-34(42)23-35(48)43(2)32(17-19-44(33,43)55)26-21-40(53)56-24-26)57-39(52)15-12-36(49)45-28-7-9-29(10-8-28)46-41(54)25-4-3-5-30(20-25)47-37(50)13-14-38(47)51/h3-5,7-10,13-14,20-21,27,31-35,48,55H,6,11-12,15-19,22-24H2,1-2H3,(H,45,49)(H,46,54)/t27-,31+,32-,33-,34+,35-,42+,43+,44?/m1/s1
• InChIKey: BBAVWFMMMXEWSK-SSBQFZNXSA-N

Properties

• Density: 1.41g/cm³ (Cal.)
• Boiling point: 929.544°C at 760 mmHg (Cal.)
• Flash point: 515.97°C (Cal.)