Disodium 2-[[(4R)-4-[(3R,5S,7R,10S,13R,17R)-3-Hydroxy-10,13-Dimethyl-7-Sulfonatooxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[a]Phenanthren-17-Yl]Pentanoyl]Amino]Ethanesulfonate
[CAS# 66874-12-2]

Identification

• Name: Disodium 2-[[(4R)-4-[(3R,5S,7R,10S,13R,17R)-3-Hydroxy-10,13-Dimethyl-7-Sulfonatooxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[a]Phenanthren-17-Yl]Pentanoyl]Amino]Ethanesulfonate
• Synonyms: Disodium 2-[[(4R)-4-[(3R,5S,7R,10S,13R,17R)-3-Hydroxy-10,13-Dimethyl-7-Sulfonatooxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]-1-Oxopentyl]Amino]Ethanesulfonate; Disodium 2-[[(4R)-4-[(3R,5S,7R,10S,13R,17R)-3-Hydroxy-10,13-Dimethyl-7-Sulfato-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]Pentanoyl]Amino]Ethanesulfonate; Ethanesulfonic Acid, 2-(((3Alpha,5Beta,7Alpha)-3-Hydroxy-24-Oxo-7-(Sulfooxy)Cholan-24-Yl)Amino)-, Disodium Salt
• Molecular Formula: C₂₆H₄₃NNa₂O₉S₂
• Molecular Weight: 623.73
• CAS Registry Number: 66874-12-2
• SMILES: [C@]34(C(C1C([C@@]2([C@H](C[C@H]1O[S]([O-])(=O)=O)C[C@H](O)CC2)C)CC3)CC[C@@H]4[C@@H](CCC(=O)NCC[S]([O-])(=O)=O)C)C.[Na+].[Na+]
• InChI: 1S/C26H45NO9S2.2Na/c1-16(4-7-23(29)27-12-13-37(30,31)32)19-5-6-20-24-21(9-11-26(19,20)3)25(2)10-8-18(28)14-17(25)15-22(24)36-38(33,34)35;;/h16-22,24,28H,4-15H2,1-3H3,(H,27,29)(H,30,31,32)(H,33,34,35);;/q;2*+1/p-2/t16-,17+,18-,19-,20?,21?,22-,24?,25+,26-;;/m1../s1
• InChIKey: DFQIEFSTRRYQEB-ZRVCAELKSA-L