Gestodene Impurity 3

cas: 104933-97-3 — see every product listed under this CAS number, including other names

Gestodene Impurity 3 (CAS 104933-97-3) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

brandChemat Brand
catalog numberULG1923
cas104933-97-3
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Structural formula: {0} (CAS {1})

[(8R,9S,10R,13S,14S,15S)-13-ethyl-3,17-dioxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-15-yl] acetate (CAS 104933-97-3) is a chemical compound with the molecular formula C21H28O4 and a molecular weight of 344.4 g/mol. IUPAC name: [(8R,9S,10R,13S,14S,15S)-13-ethyl-3,17-dioxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-15-yl] acetate. InChIKey: KMBFUOSDVPORLE-RCGDKRNRSA-N.

Identity
Molecular formulaC21H28O4
Molecular weight344.4 g/mol
IUPAC name[(8R,9S,10R,13S,14S,15S)-13-ethyl-3,17-dioxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-15-yl] acetate
InChIKeyKMBFUOSDVPORLE-RCGDKRNRSA-N
SMILESCC[C@]12CC[C@H]3[C@H]([C@@H]1[C@H](CC2=O)OC(=O)C)CCC4=CC(=O)CC[C@H]34

Computed by PubChem (NCBI)

Synonyms: Gestodene Impurity 1, 15Alpha-Acetoxy-18-methyl-4-estren-3,17-dione, 15?-Acetoxy-18-methyl-4-estren-3,17-dione, Gestodene Impurity 38, KMBFUOSDVPORLE-RCGDKRNRSA-N, 15alpha-acetoxy-18-methyl-4-estrene-3,17-dione, 15alpha-acetoxy-18-methyl-estr-4-en-3,17-dione
Isomers (same molecular formula)
[(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-7,17-dioxo-2,3,4,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate C21H28O4
2-[(8S,9R,10R,11S,13S,14R,17S)-11-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoacetaldehyde C21H28O4
(6S,8S,9S,10R,11S,13S,14S,17S)-11-hydroxy-6,10,13-trimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-17-carboxylic acid C21H28O4
(8S,9S,10R,11S,13S,14S,17R)-17-acetyl-11,17-dihydroxy-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one C21H28O4
2-[(8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoacetic acid C21H28O4
(8S,10S,13S,14S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-3-one C21H28O4
(7R,8S,9S,10S,13S,14S,17R)-17-ethynyl-10-hydroperoxy-17-hydroxy-7,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one C21H28O4
(8S,9S,10R,11S,13S,14S,17S)-11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one C21H28O4
(8R,9S,10R,13S,14S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one C21H28O4
1-[4-[2-[4-(2-hydroxypropoxy)phenyl]propan-2-yl]phenoxy]propan-2-ol C21H28O4
(8S,9S,10R,13S,14S,17S)-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,9,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,11-dione C21H28O4
(8S,9S,10R,11R,13S,14S,17R)-17-acetyl-11,17-dihydroxy-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one C21H28O4

Also listed as

15Alpha-Acetoxy-18-methyl-4-estren-3,17-dione TRC CAS 104933-97-3
15a-Acetoxy-18-methyl-4-estren-3,17-dione TRC CAS 104933-97-3