Products 1434-54-4

CAS 1434-54-4 appears in our catalog under these names: Pregnenolone Carbonitrile, >95% (HPLC), Pregnenolone Carbonitrile/ 99.64% (existing batch purity), Pregnenolone Carbonitrile, Pregnenolone-16alpha-carbonitrile, Pregnenolone 16α-carbonitrile, 98%, 98%. Offered by: TRC, TargetMol, GLPBio, Biosynth, Chemat. Available pack sizes: 1g, 250mg, 50mg, 5mg, 100mg, 25mg, 0,25g, 10mg.

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

Pregnenolone 16alpha-carbonitrile is an aliphatic nitrile. It is functionally related to a pregnenolone.

Source: ChEBI

Identity
Molecular formulaC22H31NO2
Molecular weight341.5 g/mol
IUPAC name(3S,8S,9S,10R,13S,14S,16R,17S)-17-acetyl-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-16-carbonitrile
InChIKeyVSBHRRMYCDQLJF-ZDNYCOCVSA-N
SMILESCC(=O)[C@H]1[C@@H](C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)C#N

Computed by PubChem (NCBI)