Products 1185296-28-9

CAS 1185296-28-9 is the registry number for (3alpha)-3-((4-Nitrobenzoyl)oxy)pregn-4-en-20-one. Offered by: TRC. Available pack sizes: 100mg.

(3alpha)-3-((4-Nitrobenzoyl)oxy)pregn-4-en-20-one
TRC
  • size: 100mg
  • Variants: 1
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Structural formula: {0} (CAS {1})

[(3R,8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 4-nitrobenzoate (CAS 1185296-28-9) is a chemical compound with the molecular formula C28H35NO5 and a molecular weight of 465.6 g/mol. IUPAC name: [(3R,8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 4-nitrobenzoate. InChIKey: VGHMHGRSPWIKDD-LOZGSCJYSA-N.

Identity
Molecular formulaC28H35NO5
Molecular weight465.6 g/mol
IUPAC name[(3R,8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 4-nitrobenzoate
InChIKeyVGHMHGRSPWIKDD-LOZGSCJYSA-N
SMILESCC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=C[C@@H](CC[C@]34C)OC(=O)C5=CC=C(C=C5)[N+](=O)[O-])C

Computed by PubChem (NCBI)

Synonyms: (3?)-3-[(4-Nitrobenzoyl)oxy]pregn-4-en-20-one
Isomers (same molecular formula)
[4-[3-[[2-(4-hydroxy-3-methoxyphenyl)acetyl]amino]phenyl]cyclohexyl] cyclohexanecarboxylate C28H35NO5