17-O-Acetyl-3-O-methyl-6-oxo 17Beta-Estradiol

cas: 20823-31-8 — see every product listed under this CAS number, including other names

17-O-Acetyl-3-O-methyl-6-oxo 17Beta-Estradiol (CAS 20823-31-8) is a chemical reagent available from Chemat. Available pack sizes: 50mg, 5mg. Offered by: TRC.

brandTRC
catalog numberTRC-A186820-50MG
cas20823-31-8
size50mg
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Structural formula: {0} (CAS {1})

[(8R,9S,13S,14S,17R)-3-methoxy-13-methyl-6-oxo-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthren-17-yl] acetate (CAS 20823-31-8) is a chemical compound with the molecular formula C21H26O4 and a molecular weight of 342.4 g/mol. IUPAC name: [(8R,9S,13S,14S,17R)-3-methoxy-13-methyl-6-oxo-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthren-17-yl] acetate. InChIKey: ZPNICKIKMXJXOR-VSHGRSIOSA-N.

Identity
Molecular formulaC21H26O4
Molecular weight342.4 g/mol
IUPAC name[(8R,9S,13S,14S,17R)-3-methoxy-13-methyl-6-oxo-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthren-17-yl] acetate
InChIKeyZPNICKIKMXJXOR-VSHGRSIOSA-N
SMILESCC(=O)O[C@@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC(=O)C4=C3C=CC(=C4)OC)C

Computed by PubChem (NCBI)

Synonyms: (17alpha)-3-Methoxy-6-oxoestra-1,3,5(10)-trien-17-yl acetate, 17-O-Acetyl-3-O-methyl-6-oxo 17beta-Estradiol, 3-Methoxy-6-oxoestra-1,3,5(10)-trien-17alpha-yl acetate
Isomers (same molecular formula)
(2E)-2-hydroxy-2-[(8S,9S,10R,11S,13S,14S)-11-hydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ylidene]acetaldehyde C21H26O4
4-[4-(4-tert-butylphenyl)-2-hydroxybutoxy]benzoic acid C21H26O4
(8S,9S,10R,11S,13S,14S)-11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-3-one C21H26O4
(8S,10S,13S,14S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-3-one C21H26O4
2-[(5-tert-butyl-2-methylphenyl)methoxymethyl]-6-methoxybenzoic acid C21H26O4
(8S,9S,10R,13S,14S,17R)-17-acetyl-17-hydroxy-10,13-dimethyl-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,11-dione C21H26O4
(8S,9S,10R,11S,13S,14S,17R)-11-hydroxy-10,13-dimethylspiro[7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-17,2'-oxetane]-3,3'-dione C21H26O4
(1S,2R,9S,11R,12S,13R)-6,11-dihydroxy-9,13-dimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-6,14,17-trien-16-one C21H26O4
1-(2,6-dihydroxyphenyl)-9-(4-hydroxyphenyl)nonan-1-one C21H26O4
(2Z)-2-hydroxy-2-[(8S,9S,10R,11S,13S,14S)-11-hydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ylidene]acetaldehyde C21H26O4
(3bR,9bS)-9-hydroxy-6-methoxy-9b-methyl-7-propan-2-yl-3,3b,4,5,10,11-hexahydronaphtho[2,1-e][2]benzofuran-1-one C21H26O4
3-[2-(3-hydroxy-5-methoxyphenyl)ethyl]-6-methoxy-2-(3-methylbut-2-enyl)phenol C21H26O4