Estradiol 17-Octanoate

cas: 63042-22-8 — see every product listed under this CAS number, including other names

Estradiol 17-Octanoate (CAS 63042-22-8) is a chemical reagent available from Chemat. Available pack sizes: 1g. Offered by: TRC.

brandTRC
catalog numberTRC-E741530-1G
cas63042-22-8
size1g
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purityNo data
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Structural formula: {0} (CAS {1})

(3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl) octanoate (CAS 63042-22-8) is a chemical compound with the molecular formula C26H38O3 and a molecular weight of 398.6 g/mol. IUPAC name: (3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl) octanoate. InChIKey: VJJJFYBJSXJBPB-UHFFFAOYSA-N.

Identity
Molecular formulaC26H38O3
Molecular weight398.6 g/mol
IUPAC name(3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl) octanoate
InChIKeyVJJJFYBJSXJBPB-UHFFFAOYSA-N
SMILESCCCCCCCC(=O)OC1CCC2C1(CCC3C2CCC4=C3C=CC(=C4)O)C

Computed by PubChem (NCBI)

Synonyms: Estradiol 17-octanoate, 3-Hydroxyestra-1(10),2,4-trien-17-yl octanoate
Isomers (same molecular formula)
(3,3-dimethyl-2-oxobutyl) (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoate C26H38O3
[(8R,9S,10R,13S,14S,17S)-13-methyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] 3-cyclopentylpropanoate C26H38O3
[(8S,10S,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] heptanoate C26H38O3