Disodium [(3S,5S,6S,8S,9S,10R,13R,14S,17R)-10,13-Dimethyl-17-[(2R)-6-Methylheptan-2-Yl]-3-Sulfonatooxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[a]Phenanthren-6-Yl] Sulfate
[CAS# 141677-53-4]

Identification

• Name: Disodium [(3S,5S,6S,8S,9S,10R,13R,14S,17R)-10,13-Dimethyl-17-[(2R)-6-Methylheptan-2-Yl]-3-Sulfonatooxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[a]Phenanthren-6-Yl] Sulfate
• Synonyms: Disodium [(3S,5S,6S,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-Dimethylhexyl]-10,13-Dimethyl-3-Sulfonatooxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-6-Yl] Sulfate; Disodium [(3S,5S,6S,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-Dimethylhexyl]-10,13-Dimethyl-3-Sulfato-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-6-Yl] Sulfate; 5Alpha-Cholestan-3Beta,6Alpha-Diyl Disulfate
• Molecular Formula: C₂₇H₄₆Na₂O₈S₂
• Molecular Weight: 608.76
• CAS Registry Number: 141677-53-4
• SMILES: [C@H]13[C@@H]([C@@]2([C@@H]([C@@H](O[S]([O-])(=O)=O)C1)C[C@@H](O[S]([O-])(=O)=O)CC2)C)CC[C@]4([C@H]3CC[C@@H]4[C@@H](CCCC(C)C)C)C.[Na+].[Na+]
• InChI: 1S/C27H48O8S2.2Na/c1-17(2)7-6-8-18(3)21-9-10-22-20-16-25(35-37(31,32)33)24-15-19(34-36(28,29)30)11-13-27(24,5)23(20)12-14-26(21,22)4;;/h17-25H,6-16H2,1-5H3,(H,28,29,30)(H,31,32,33);;/q;2*+1/p-2/t18-,19+,20+,21-,22+,23+,24-,25+,26-,27-;;/m1../s1
• InChIKey: LSZOEUUICRWOTO-JFEUVQKDSA-L