Products 2787-02-2

CAS 2787-02-2 appears in our catalog under these names: 2-Hydroxymethylene ethisterone, 2-Hydroxymethylene Ethisterone, >95% (HPLC), Danazol Impurity 1. Offered by: MedChemExpress, TRC, Chemat Brand. Available pack sizes: 1 g, 100 mg, 100mg, 1g, on request.

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

(2Z,8R,9S,10R,13S,14S,17R)-17-ethynyl-17-hydroxy-2-(hydroxymethylidene)-10,13-dimethyl-1,6,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one (CAS 2787-02-2) is a chemical compound with the molecular formula C22H28O3 and a molecular weight of 340.5 g/mol. IUPAC name: (2Z,8R,9S,10R,13S,14S,17R)-17-ethynyl-17-hydroxy-2-(hydroxymethylidene)-10,13-dimethyl-1,6,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one. InChIKey: FYEOMZSZJFOTGQ-GXWGVVPNSA-N.

Identity
Molecular formulaC22H28O3
Molecular weight340.5 g/mol
IUPAC name(2Z,8R,9S,10R,13S,14S,17R)-17-ethynyl-17-hydroxy-2-(hydroxymethylidene)-10,13-dimethyl-1,6,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
InChIKeyFYEOMZSZJFOTGQ-GXWGVVPNSA-N
SMILESC[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=CC(=O)/C(=C\O)/C[C@]34C

Computed by PubChem (NCBI)