(5alpha)-Estrane-3,17-dione

cas: 5696-58-2 — see every product listed under this CAS number, including other names

(5alpha)-Estrane-3,17-dione (CAS 5696-58-2) is a chemical reagent available from Chemat. Available pack sizes: 100mg. Offered by: TRC.

brandTRC
catalog numberTRC-E668420-100MG
cas5696-58-2
size100mg
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Structural formula: {0} (CAS {1})

(5S,8R,9R,10S,13S,14S)-13-methyl-1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-3,17-dione (CAS 5696-58-2) is a chemical compound with the molecular formula C18H26O2 and a molecular weight of 274.4 g/mol. IUPAC name: (5S,8R,9R,10S,13S,14S)-13-methyl-1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-3,17-dione. InChIKey: CRDKSBHJIGNEOH-IMRIKWHGSA-N.

Identity
Molecular formulaC18H26O2
Molecular weight274.4 g/mol
IUPAC name(5S,8R,9R,10S,13S,14S)-13-methyl-1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-3,17-dione
InChIKeyCRDKSBHJIGNEOH-IMRIKWHGSA-N
SMILESC[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC[C@@H]4[C@@H]3CCC(=O)C4

Computed by PubChem (NCBI)

Synonyms: (5alpha)-Estrane-3,17-dione, 5alpha-Estrane-3,17-dione, Estrane-3,17-dione, 5-Alpha-Estran-3,17-Dione, (5?)-Estrane-3,17-dione, Estrane-3,17-dione, (5alpha)-, Zuranolone impurity 3, (5beta,9beta,10alpha,13alpha,14beta)-estrane-3,17-dione
Related forms of this compound
(5S,8R,9R,10S,13S,14S)-2,2,4,4,16,16-hexadeuterio-13-methyl-5,6,7,8,9,10,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione C18H26O2
(5R,8R,9R,10S,13S,14S)-13-methyl-1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-3,17-dione C18H26O2
Isomers (same molecular formula)
4-methylhept-4-en-1-yn-3-yl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate C18H26O2
4-(4-pentylcyclohexyl)benzoic acid C18H26O2
(8R,9S,10R,13S,14S,17R)-17-hydroxy-13-methyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one C18H26O2
(8R,9S,10R,13S,14S,17S)-17-hydroxy-13-methyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one C18H26O2
(8R,9S,10R,13S,14S,17S)-16,16,17-trideuterio-17-hydroxy-13-methyl-2,6,7,8,9,10,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-one C18H26O2
(3S,8R,9S,10R,13S,14S)-3-hydroxy-13-methyl-2,3,6,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-one C18H26O2
(3R,8R,9S,10R,13S,14S)-3-hydroxy-13-methyl-2,3,6,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-one C18H26O2
4,6,6,7,8,8-hexamethyl-1,3,4,7-tetrahydrocyclopenta[g]isochromen-1-ol C18H26O2
(3S,5S,8R,9S,10R,13S,14S)-3-hydroxy-13-methyl-4,5,6,7,8,9,10,11,12,14,15,16-dodecahydro-3H-cyclopenta[a]phenanthren-17-one C18H26O2
(1S,2R,4R)-1-methyl-2-[(2-methylphenyl)methoxy]-4-propan-2-yl-7-oxabicyclo[2.2.1]heptane C18H26O2

Also listed as

5Alpha-Estran-3, 17-dione Biosynth CAS 5696-58-2