Products 2996096-63-8

CAS 2996096-63-8 is the registry number for PRDX1-IN-1, 98.04%. Offered by: MedChemExpress. Available pack sizes: 25 mg, 5 mg, 10 mg, 1 mg.

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

[(6aS,6bS,8aS,11R,12aR,14aR)-4,6a,6b,8a,11,14a-hexamethyl-2-oxo-11-[(3,5,6-trimethylpyrazin-2-yl)methylcarbamoyl]-7,8,9,10,12,12a,13,14-octahydropicen-3-yl] (E)-3-phenylprop-2-enoate (CAS 2996096-63-8) is a chemical compound with the molecular formula C46H55N3O4 and a molecular weight of 713.9 g/mol. IUPAC name: [(6aS,6bS,8aS,11R,12aR,14aR)-4,6a,6b,8a,11,14a-hexamethyl-2-oxo-11-[(3,5,6-trimethylpyrazin-2-yl)methylcarbamoyl]-7,8,9,10,12,12a,13,14-octahydropicen-3-yl] (E)-3-phenylprop-2-enoate. InChIKey: FRYSNRRDKCJCDD-MAYJLFPOSA-N.

Identity
Molecular formulaC46H55N3O4
Molecular weight713.9 g/mol
IUPAC name[(6aS,6bS,8aS,11R,12aR,14aR)-4,6a,6b,8a,11,14a-hexamethyl-2-oxo-11-[(3,5,6-trimethylpyrazin-2-yl)methylcarbamoyl]-7,8,9,10,12,12a,13,14-octahydropicen-3-yl] (E)-3-phenylprop-2-enoate
InChIKeyFRYSNRRDKCJCDD-MAYJLFPOSA-N
SMILESCC1=C(C(=O)C=C2C1=CC=C3[C@]2(CC[C@@]4([C@@]3(CC[C@@]5([C@H]4C[C@](CC5)(C)C(=O)NCC6=NC(=C(N=C6C)C)C)C)C)C)C)OC(=O)/C=C/C7=CC=CC=C7

Computed by PubChem (NCBI)

Synonyms: orb2278405