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

cas: 5976-55-6 — see every product listed under this CAS number, including other names

17-O-Acetyl-3-O-methyl 17Beta-Estradiol (CAS 5976-55-6) is a chemical reagent available from Chemat. Available pack sizes: 100mg, 25mg. Offered by: TRC.

brandTRC
catalog numberTRC-A186830-100MG
cas5976-55-6
size100mg
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Structural formula: {0} (CAS {1})

[(8R,9S,13S,14S,17S)-3-methoxy-13,14-dimethyl-7,8,9,11,12,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-17-yl] acetate (CAS 5976-55-6) is a chemical compound with the molecular formula C22H30O3 and a molecular weight of 342.5 g/mol. IUPAC name: [(8R,9S,13S,14S,17S)-3-methoxy-13,14-dimethyl-7,8,9,11,12,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-17-yl] acetate. InChIKey: GSWIRMJPZCMXSQ-LXHROKJGSA-N.

Identity
Molecular formulaC22H30O3
Molecular weight342.5 g/mol
IUPAC name[(8R,9S,13S,14S,17S)-3-methoxy-13,14-dimethyl-7,8,9,11,12,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-17-yl] acetate
InChIKeyGSWIRMJPZCMXSQ-LXHROKJGSA-N
SMILESCC(=O)O[C@H]1CC[C@@]2([C@@]1(CC[C@H]3[C@H]2CCC4=C3C=CC(=C4)OC)C)C

Computed by PubChem (NCBI)

Synonyms: Estra-1,3,5(10)-trien-17-ol, 3-methoxy-, 17-acetate, (17beta)-, 3-Methoxy-14-methylestra-1,3,5(10)-trien-17beta-yl acetate
Isomers (same molecular formula)
2-hydroxy-6-[(8Z,11Z)-pentadeca-8,11,14-trienyl]benzoic acid C22H30O3
(4Z,7Z,10Z,13E,15Z,19Z)-17-oxodocosa-4,7,10,13,15,19-hexaenoic acid C22H30O3
(6S,8R,9S,10R,13S,14S,17R)-17-acetyl-17-hydroxy-6,10,13-trimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one C22H30O3
(8R,9S,10R,13S,14S,17R)-10,13-dimethylspiro[2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17,5'-oxolane]-2',3-dione C22H30O3
[(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] butanoate C22H30O3
(8R,9S,10R,13S,14S,17R)-17-acetyl-17-hydroxy-6,10,13-trimethyl-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-3-one C22H30O3
2-hydroxy-6-[(8E,11E)-pentadeca-8,11,14-trienyl]benzoic acid C22H30O3
[(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] propanoate C22H30O3
(6S,8S,9S,10R,11S,13S,14S,17S)-17-acetyl-11-hydroxy-6,10,13-trimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one C22H30O3
(8S,9S,10R,11S,13S,14S,17R)-13-ethyl-17-ethynyl-11,17-dihydroxy-11-methyl-2,6,7,8,9,10,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one C22H30O3
(2S)-2-[(8S,9S,10R,13S,14S,17R)-10,13-dimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]propanoic acid C22H30O3
(1S,4R,12S,15S,20S)-8,12,16,16-tetramethyl-3,11-dioxapentacyclo[10.7.1.01,15.04,20.05,10]icosa-5,7,9-trien-6-ol C22H30O3

Also listed as

17-O-Acetyl-3-O-methyl 17b-Estradiol TRC CAS 5976-55-6