Products 105539-27-3

CAS 105539-27-3 appears in our catalog under these names: 25-NBD Cholesterol, 99.0%, 25-nbd cholesterol. Offered by: MedChemExpress, Sigma-Aldrich. Available pack sizes: 1 mg, 1MG, 5MG, 10MG.

Structural formula: {0} (CAS {1})

(3S,8S,9S,10R,13R,14S,17S)-10,13-dimethyl-17-[(2R)-6-[methyl-(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]heptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol (CAS 105539-27-3) is a chemical compound with the molecular formula C33H48N4O4 and a molecular weight of 564.8 g/mol. IUPAC name: (3S,8S,9S,10R,13R,14S,17S)-10,13-dimethyl-17-[(2R)-6-[methyl-(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]heptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol. InChIKey: RMGLSQAGXRZCPZ-OVHOIDCTSA-N.

Identity
Molecular formulaC33H48N4O4
Molecular weight564.8 g/mol
IUPAC name(3S,8S,9S,10R,13R,14S,17S)-10,13-dimethyl-17-[(2R)-6-[methyl-(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]heptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
InChIKeyRMGLSQAGXRZCPZ-OVHOIDCTSA-N
SMILESC[C@H](CCCC(C)N(C)C1=CC=C(C2=NON=C12)[N+](=O)[O-])[C@@H]3CC[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)O)C)C

Computed by PubChem (NCBI)