6-Keto Estradiol Valerate Impurity

cas: 1313382-51-2 — see every product listed under this CAS number, including other names

6-Keto Estradiol Valerate Impurity (CAS 1313382-51-2) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

brandChemat Brand
catalog numberAO-E0042.08
cas1313382-51-2
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Structural formula: {0} (CAS {1})

[(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6-oxo-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthren-17-yl] pentanoate (CAS 1313382-51-2) is a chemical compound with the molecular formula C23H30O4 and a molecular weight of 370.5 g/mol. IUPAC name: [(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6-oxo-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthren-17-yl] pentanoate. InChIKey: RKXZAKLFWUEYOB-RHDNAEHESA-N.

Identity
Molecular formulaC23H30O4
Molecular weight370.5 g/mol
IUPAC name[(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6-oxo-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthren-17-yl] pentanoate
InChIKeyRKXZAKLFWUEYOB-RHDNAEHESA-N
SMILESCCCCC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC(=O)C4=C3C=CC(=C4)O)C

Computed by PubChem (NCBI)

Synonyms: 6-Oxo-17beta-estradiol 17-Valerate, 6-Oxo-Estradiol-17-Valerate, 6-Oxo-17|A-estradiol 17-Valerate, 6-keto-Estradiol-valerate
Isomers (same molecular formula)
[2-oxo-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.4]non-3-en-4-yl] 3,3-dimethylbutanoate C23H30O4
[(8R,9S,10R,13S,14S,17R)-17-acetyl-13-methyl-16-methylidene-3-oxo-2,6,7,8,9,10,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate C23H30O4
[(8R,9S,10R,13S,14S,17R)-17-acetyl-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] acetate C23H30O4
[(8S,9S,10R,13S,14S,17R)-17-acetyl-6,13-dimethyl-3-oxo-1,2,8,9,10,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] acetate C23H30O4
[(8R,9S,10R,13S,14S,17R)-17-acetyl-10,13-dimethyl-3-oxo-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate C23H30O4
[(3S,8R,9S,10R,13S,14S)-17-acetyl-10,13-dimethyl-7-oxo-1,2,3,4,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-3-yl] acetate C23H30O4
[(8R,9S,10R,13S,14S,15S,17R)-13-ethyl-17-ethynyl-17-hydroxy-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-15-yl] acetate C23H30O4
[(3R,8R,9S,10R,13S)-17-acetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12-octahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate C23H30O4
(1'R,5'S,6'S,9'S,10'S,13'R)-5'-methyl-6'-prop-1-ynylspiro[1,3-dioxolane-2,15'-18-oxapentacyclo[11.4.1.01,13.02,10.05,9]octadec-2-ene]-6'-ol C23H30O4
(2S)-2-[(3E)-4,8-dimethylnona-3,7-dienyl]-5-hydroxy-2,7-dimethylchromene-6-carboxylic acid C23H30O4

Also listed as

6-Oxo-Estradiol-17-Valerate Chemat Brand CAS 1313382-51-2
Estradiol Valerate Impurity 14 Hubei YoungXin CAS 1313382-51-2
6-Oxo-17beta-estradiol 17-Valerate TRC CAS 1313382-51-2