Danazol Impurity 1

cas: 2787-02-2 — see every product listed under this CAS number, including other names

Danazol Impurity 1 (CAS 2787-02-2) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

brandChemat Brand
catalog numberAO-D0026.01
cas2787-02-2
sizeon request
availability In stock
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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)

Synonyms: 17alpha-Hydroxy-2-(hydroxymethylene)pregn-4-en-20-yn-3-one, 2-Hydroxymethylene Ethisterone, Ethisterone Impurity1, orb2940884
Isomers (same molecular formula)
(4-butoxyphenyl) 4-pentylbenzoate C22H28O3
(8R,9S,10R,13S,14S,17R)-10,13-dimethylspiro[2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-17,5'-oxolane]-2',3-dione C22H28O3
[(8R,9S,10R,13S,14S,17R)-17-ethynyl-13-methyl-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate C22H28O3
(6S,8S,10R,13S,14S,17R)-17-acetyl-17-hydroxy-6,10,13-trimethyl-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-3-one C22H28O3
[(8R,9S,13S,14S,17R)-17-ethynyl-13-methyl-3-oxo-1,2,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate C22H28O3
(8R,9S,10R,13S,14S,17R)-17-acetyl-17-hydroxy-10,13-dimethyl-6-methylidene-7,8,9,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one C22H28O3
[(8R,9S,10R,13S,14S,17R)-17-ethynyl-13-methyl-3-oxo-1,2,4,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate C22H28O3
[(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-6-methylidene-3-oxo-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthren-17-yl] acetate C22H28O3
2-[3-(5-tert-butyl-2-methylphenyl)propyl]-6-methoxybenzoic acid C22H28O3
[(8R,9S,10R,13S,14S,17S)-17-ethynyl-13-methyl-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate C22H28O3
(6R,8S,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-6,17-dihydroxy-11-methylidene-2,6,7,8,9,10,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one C22H28O3
methyl (2E)-2-[(8R,9S,10R,13S,14S)-13-methyl-3-oxo-6,7,8,9,10,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-ylidene]propanoate C22H28O3

Also listed as

2-Hydroxymethylene ethisterone MedChemExpress CAS 2787-02-2
2-Hydroxymethylene Ethisterone, >95% (HPLC) TRC CAS 2787-02-2