Products 2295804-92-9
CAS 2295804-92-9 is the registry number for β-FXR antagonist 1, 99.80%. Offered by: MedChemExpress. Available pack sizes: 5 mg, 100 mg, 50 mg, 10 mg, 25 mg, 10mM/1mL.
2-[[(1S,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-butanoyloxy-5a,5b,8,8,11a-pentamethyl-1-propan-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carbonyl]amino]acetic acid (CAS 2295804-92-9) is a chemical compound with the molecular formula C36H59NO5 and a molecular weight of 585.9 g/mol. IUPAC name: 2-[[(1S,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-butanoyloxy-5a,5b,8,8,11a-pentamethyl-1-propan-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carbonyl]amino]acetic acid. InChIKey: CLKCLHBPLVDIOB-WYNSFBPCSA-N.
| Molecular formula | C36H59NO5 |
|---|---|
| Molecular weight | 585.9 g/mol |
| IUPAC name | 2-[[(1S,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-butanoyloxy-5a,5b,8,8,11a-pentamethyl-1-propan-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carbonyl]amino]acetic acid |
| InChIKey | CLKCLHBPLVDIOB-WYNSFBPCSA-N |
| SMILES | CCCC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@@H]4[C@H]5[C@@H](CC[C@@]5(CC[C@]4([C@@]3(CC[C@H]2C1(C)C)C)C)C(=O)NCC(=O)O)C(C)C)C |
Computed by PubChem (NCBI)
Synonyms:
beta-FXR antagonist 1, orb2564992