[(3R,6R)-6-[(3S,5R,7R,8R,9S,10S,13R,14S,17R)-3-[3-(4-Aminobutylamino)Propylamino]-7-Hydroxy-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[a]Phenanthren-17-Yl]-2-Methylheptan-3-Yl] Hydrogen Sulfate
[CAS# 148717-90-2]

Identification

• Name: [(3R,6R)-6-[(3S,5R,7R,8R,9S,10S,13R,14S,17R)-3-[3-(4-Aminobutylamino)Propylamino]-7-Hydroxy-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[a]Phenanthren-17-Yl]-2-Methylheptan-3-Yl] Hydrogen Sulfate
• Synonyms: [(1R,4R)-4-[(3S,5R,7R,8R,9S,10S,13R,14S,17R)-3-[3-(4-Aminobutylamino)Propylamino]-7-Hydroxy-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]-1-Isopropyl-Pentyl] Hydrogen Sulfate; [(1R,4R)-4-[(3S,5R,7R,8R,9S,10S,13R,14S,17R)-3-[3-(4-Aminobutylamino)Propylamino]-7-Hydroxy-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]-1-Isopropylpentyl] Hydrogen Sulfate; [(3R,6R)-6-[(3S,5R,7R,8R,9S,10S,13R,14S,17R)-3-[3-(4-Aminobutylamino)Propylamino]-7-Hydroxy-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]-2-Methyl-Heptan-3-Yl] Hydrogen Sulfate
• Molecular Formula: C₃₄H₆₅N₃O₅S
• Molecular Weight: 627.96
• CAS Registry Number: 148717-90-2
• SMILES: [C@H]23[C@H]1[C@@]([C@H](CC1)[C@@H](CC[C@@H](O[S](=O)(=O)O)C(C)C)C)(CC[C@@H]2[C@@]4([C@@H](C[C@H]3O)C[C@@H](NCCCNCCCCN)CC4)C)C
• InChI: 1S/C34H65N3O5S/c1-23(2)31(42-43(39,40)41)12-9-24(3)27-10-11-28-32-29(14-16-34(27,28)5)33(4)15-13-26(21-25(33)22-30(32)38)37-20-8-19-36-18-7-6-17-35/h23-32,36-38H,6-22,35H2,1-5H3,(H,39,40,41)/t24-,25-,26+,27-,28+,29+,30-,31-,32+,33+,34-/m1/s1
• InChIKey: UIRKNQLZZXALBI-MSVGPLKSSA-N

Properties

• Density: 1.135g/cm³ (Cal.)