Cortisol-Aminopentylethylisoluminol Conjugate
[CAS# 76773-85-8]

Identification

• Name: Cortisol-Aminopentylethylisoluminol Conjugate
• Synonyms: [2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-Dihydroxy-10,13-Dimethyl-3-Oxo-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]-2-Oxo-Ethyl] 4-[5-[(1,4-Dioxo-2,3-Dihydrophthalazin-6-Yl)-Ethyl-Amino]Pentylamino]-4-Oxo-Butanoate; 4-[5-[(1,4-Dioxo-2,3-Dihydrophthalazin-6-Yl)-Ethylamino]Pentylamino]-4-Oxobutanoic Acid [2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-Dihydroxy-10,13-Dimethyl-3-Oxo-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]-2-Oxoethyl] Ester; 4-[5-[(1,4-Diketo-2,3-Dihydrophthalazin-6-Yl)-Ethyl-Amino]Pentylamino]-4-Keto-Butyric Acid [2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-Dihydroxy-3-Keto-10,13-Dimethyl-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]-2-Keto-Ethyl] Ester
• Molecular Formula: C₄₀H₅₄N₄O₉
• Molecular Weight: 734.89
• CAS Registry Number: 76773-85-8
• SMILES: [C@]34([C@H]([C@H]2[C@@H]([C@@]1(C(=CC(CC1)=O)CC2)C)[C@H](C3)O)CC[C@@]4(C(COC(CCC(NCCCCCN(CC)C6=CC5=C(C(NNC5=O)=O)C=C6)=O)=O)=O)O)C
• InChI: 1S/C40H54N4O9/c1-4-44(25-9-11-27-29(21-25)37(51)43-42-36(27)50)19-7-5-6-18-41-33(48)12-13-34(49)53-23-32(47)40(52)17-15-30-28-10-8-24-20-26(45)14-16-38(24,2)35(28)31(46)22-39(30,40)3/h9,11,20-21,28,30-31,35,46,52H,4-8,10,12-19,22-23H2,1-3H3,(H,41,48)(H,42,50)(H,43,51)/t28-,30-,31-,35+,38-,39-,40-/m0/s1
• InChIKey: ARPVYTBUQVLNPO-RHJPVIBVSA-N

Properties

• Density: 1.329g/cm³ (Cal.)