[4-[2-[[2-[[(8S,9S,10R,11R,13S,14S,17S)-17-Acetyl-10,13-Dimethyl-3-Oxo-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[a]Phenanthren-11-Yl]Oxy]Acetyl]Amino]Ethyl]Phenyl] 10-Methylacridin-10-Ium-9-Carboxylate Trifluoromethanesulfonate
[CAS# 113578-24-8]

Identification

• Name: [4-[2-[[2-[[(8S,9S,10R,11R,13S,14S,17S)-17-Acetyl-10,13-Dimethyl-3-Oxo-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[a]Phenanthren-11-Yl]Oxy]Acetyl]Amino]Ethyl]Phenyl] 10-Methylacridin-10-Ium-9-Carboxylate Trifluoromethanesulfonate
• Synonyms: 10-Methyl-9-Acridin-10-Iumcarboxylic Acid [4-[2-[[2-[[(8S,9S,10R,11R,13S,14S,17S)-17-Acetyl-10,13-Dimethyl-3-Oxo-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[A]Phenanthren-11-Yl]Oxy]-1-Oxoethyl]Amino]Ethyl]Phenyl] Ester; Trifluoromethanesulfonate; 10-Methylacridin-10-Ium-9-Carboxylic Acid [4-[2-[[2-[[(8S,9S,10R,11R,13S,14S,17S)-17-Acetyl-3-Keto-10,13-Dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[A]Phenanthren-11-Yl]Oxy]Acetyl]Amino]Ethyl]Phenyl] Ester; Trifluoromethanesulfonate; [4-[2-[2-[[(8S,9S,10R,11R,13S,14S,17S)-17-Ethanoyl-10,13-Dimethyl-3-Oxo-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[A]Phenanthren-11-Yl]Oxy]Ethanoylamino]Ethyl]Phenyl] 10-Methylacridin-10-Ium-9-Carboxylate; Trifluoromethanesulfonate
• Molecular Formula: C₄₇H₅₁F₃N₂O₉S
• Molecular Weight: 876.98
• CAS Registry Number: 113578-24-8
• SMILES: [C@H]27[C@@H]([C@@]1(C(=CC(=O)CC1)CC2)C)[C@H](OCC(=O)NCCC6=CC=C(OC(=O)C3=C5C(=[N+](C4=C3C=CC=C4)C)C=CC=C5)C=C6)C[C@]8([C@H]7CC[C@@H]8C(=O)C)C.O=[S]([O-])(=O)C(F)(F)F
• InChI: 1S/C46H50N2O6.CHF3O3S/c1-28(49)36-19-20-37-33-18-15-30-25-31(50)21-23-45(30,2)43(33)40(26-46(36,37)3)53-27-41(51)47-24-22-29-13-16-32(17-14-29)54-44(52)42-34-9-5-7-11-38(34)48(4)39-12-8-6-10-35(39)42;2-1(3,4)8(5,6)7/h5-14,16-17,25,33,36-37,40,43H,15,18-24,26-27H2,1-4H3;(H,5,6,7)/t33-,36+,37-,40+,43+,45-,46+;/m0./s1
• InChIKey: FEZBZGDUFCMDHY-KMFDWQNXSA-N