2-[[(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-10,13-Dimethyl-3-Sulfooxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[a]Phenanthren-17-Yl]Pentanoyl]Amino]Acetic Acid
[CAS# 15324-64-8]

Identification

• Name: 2-[[(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-10,13-Dimethyl-3-Sulfooxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[a]Phenanthren-17-Yl]Pentanoyl]Amino]Acetic Acid
• Synonyms: [(3R,5R,8R,9S,10S,13R,14S,17R)-17-[(1R)-4-(Carboxymethylamino)-1-Methyl-4-Oxo-Butyl]-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl] Sulfate; [(3R,5R,8R,9S,10S,13R,14S,17R)-17-[(1R)-4-(Carboxymethylamino)-1-Methyl-4-Oxobutyl]-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl] Sulfate; [(3R,5R,8R,9S,10S,13R,14S,17R)-17-[(1R)-4-(Carboxymethylamino)-4-Keto-1-Methyl-Butyl]-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl] Sulfate
• Molecular Formula: C₂₆H₄₂NO₇S
• Molecular Weight: 512.68
• CAS Registry Number: 15324-64-8
• SMILES: [C@]34([C@H]([C@H]1[C@@H]([C@@]2([C@H](CC1)C[C@H](O[S]([O-])(=O)=O)CC2)C)CC3)CC[C@@H]4[C@@H](CCC(=O)NCC(O)=O)C)C
• InChI: 1S/C26H43NO7S/c1-16(4-9-23(28)27-15-24(29)30)20-7-8-21-19-6-5-17-14-18(34-35(31,32)33)10-12-25(17,2)22(19)11-13-26(20,21)3/h16-22H,4-15H2,1-3H3,(H,27,28)(H,29,30)(H,31,32,33)/p-1/t16-,17-,18-,19+,20-,21+,22+,25+,26-/m1/s1
• InChIKey: FHXBAFXQVZOILS-OETIFKLTSA-M