Products 3056013-54-5

CAS 3056013-54-5 is the registry number for 22-NBD 25-Hydroxycholesterol. Offered by: MedChemExpress, Sigma-Aldrich. Available pack sizes: Get quote, 1MG.

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

(3S,8S,9S,10R,13S,14S,17R)-17-[(2S)-1-[(2-hydroxy-2-methylpropyl)-(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]propan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol (CAS 3056013-54-5) is a chemical compound with the molecular formula C32H46N4O5 and a molecular weight of 566.7 g/mol. IUPAC name: (3S,8S,9S,10R,13S,14S,17R)-17-[(2S)-1-[(2-hydroxy-2-methylpropyl)-(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]propan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol. InChIKey: CBRDSPQPMKITIT-RUIFTKLKSA-N.

Identity
Molecular formulaC32H46N4O5
Molecular weight566.7 g/mol
IUPAC name(3S,8S,9S,10R,13S,14S,17R)-17-[(2S)-1-[(2-hydroxy-2-methylpropyl)-(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]propan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
InChIKeyCBRDSPQPMKITIT-RUIFTKLKSA-N
SMILESC[C@H](CN(CC(C)(C)O)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)

Synonyms: orb3145220