4-(((3-Cholesteryloxy)Carbonyl)Amino)-5-Hydroxy-2,7-Naphthalenedisulfonic Acid
[CAS# 158721-72-3]

Identification

• Name: 4-(((3-Cholesteryloxy)Carbonyl)Amino)-5-Hydroxy-2,7-Naphthalenedisulfonic Acid
• Synonyms: Sodium 5-[[(3S,10R,13R,17R)-17-[(1R)-1,5-Dimethylhexyl]-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl]Oxycarbonylamino]-4-Hydroxy-7-Sulfo-Naphthalene-2-Sulfonate; Sodium 5-[[[(3S,10R,13R,17R)-17-[(1R)-1,5-Dimethylhexyl]-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl]Oxy-Oxomethyl]Amino]-4-Hydroxy-7-Sulfo-2-Naphthalenesulfonate; Sodium 5-[[(3S,10R,13R,17R)-10,13-Dimethyl-17-[(2R)-6-Methylheptan-2-Yl]-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl]Oxycarbonylamino]-4-Hydroxy-7-Sulfo-Naphthalene-2-Sulfonate
• Molecular Formula: C₃₈H₅₂NNaO₉S₂
• Molecular Weight: 753.94
• CAS Registry Number: 158721-72-3
• SMILES: [C@]16([C@H](CCC1C2C([C@@]5(C(=CC2)C[C@@H](OC(=O)NC3=C4C(=CC(=C3)[S](=O)(=O)O)C=C([S]([O-])(=O)=O)C=C4O)CC5)C)CC6)[C@@H](CCCC(C)C)C)C.[Na+]
• InChI: 1S/C38H53NO9S2.Na/c1-22(2)7-6-8-23(3)30-11-12-31-29-10-9-25-19-26(13-15-37(25,4)32(29)14-16-38(30,31)5)48-36(41)39-33-20-27(49(42,43)44)17-24-18-28(50(45,46)47)21-34(40)35(24)33;/h9,17-18,20-23,26,29-32,40H,6-8,10-16,19H2,1-5H3,(H,39,41)(H,42,43,44)(H,45,46,47);/q;+1/p-1/t23-,26+,29?,30-,31?,32?,37+,38-;/m1./s1
• InChIKey: OQNBAZVKHTXXAL-KNSFRLQUSA-M