7-Keto Naturalean

cas: 1449-61-2 — see every product listed under this CAS number, including other names

7-Keto Naturalean (CAS 1449-61-2) is a chemical reagent available from Chemat. Available pack sizes: 500mg, 5mg. Offered by: TRC.

brandTRC
catalog numberTRC-K195530-500MG
cas1449-61-2
size500mg
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Structural formula: {0} (CAS {1})

[(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 (CAS 1449-61-2) is a chemical compound with the molecular formula C21H28O4 and a molecular weight of 344.4 g/mol. IUPAC name: [(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. InChIKey: VVSMJVQHDZUPIL-XFKPDKBWSA-N.

Identity
Molecular formulaC21H28O4
Molecular weight344.4 g/mol
IUPAC name[(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
InChIKeyVVSMJVQHDZUPIL-XFKPDKBWSA-N
SMILESCC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3C(=O)C=C2C1)CCC4=O)C)C

Computed by PubChem (NCBI)

Synonyms: 7-Keto naturalean, 7-Oxo-dhea-acetate, 7-Oxodehydroepiandrosterone 3-acetate, Androst-5-ene-7,17-dione, 3-(acetyloxy)-, (3beta)-, 3beta-acetoxyandrost-5-ene-7,17-dione, 7-Oxodehydroepiandrosterone acetate, Androst-5-ene-7,17-dione, 3beta-hydroxy-, acetate, Androst-5-en-3-ol-7,17-dione acetate, 7-Oxo-dehydroepiandrosterone acetate, (3beta)-3-(Acetyloxy)androst-5-ene-7,17-dione
Isomers (same molecular formula)
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
(8S,9S,10R,13S,14S,17R)-17-acetyl-17-hydroxy-10,13-dimethyl-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,11-dione C21H28O4

Also listed as

Androst-5-en-3-ol-7,17-dione acetate, 98% Combi-blocks CAS 1449-61-2
7-Oxo-dehydroepiandrosterone acetate Biosynth CAS 1449-61-2
(3β)-3-(Acetyloxy)androst-5-ene-7,17-dione Chemat CAS 1449-61-2