Products 959396-07-7

CAS 959396-07-7 is the registry number for 2-(1,1-Dimethylethyl)-3-hydroxy-17-oxoestra-1,3,5(10)-triene-4-carboxaldehyde. Offered by: TRC. Available pack sizes: 100mg, 250mg, 25mg.

2-(1,1-Dimethylethyl)-3-hydroxy-17-oxoestra-1,3,5(10)-triene-4-carboxaldehyde
TRC
  • size: 100mg, 250mg, 25mg
  • Variants: 3
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Structural formula: {0} (CAS {1})

(8R,9S,13S,14S)-2-tert-butyl-3-hydroxy-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-4-carbaldehyde (CAS 959396-07-7) is a chemical compound with the molecular formula C23H30O3 and a molecular weight of 354.5 g/mol. IUPAC name: (8R,9S,13S,14S)-2-tert-butyl-3-hydroxy-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-4-carbaldehyde. InChIKey: AONZDRVZOIHAKZ-JVXPPLNDSA-N.

Identity
Molecular formulaC23H30O3
Molecular weight354.5 g/mol
IUPAC name(8R,9S,13S,14S)-2-tert-butyl-3-hydroxy-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-4-carbaldehyde
InChIKeyAONZDRVZOIHAKZ-JVXPPLNDSA-N
SMILESC[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=C(C(=C(C=C34)C(C)(C)C)O)C=O

Computed by PubChem (NCBI)

Synonyms: 2-(1,1-Dimethylethyl)-3-hydroxy-17-oxoestra-1,3,5(10)-triene-4-carboxaldehyde
Isomers (same molecular formula)
ethyl (2E,4E,6E,8E)-9-(4-methoxy-2,3,6-trimethylphenyl)-3,7-dimethylnona-2,4,6,8-tetraenoate C23H30O3
(4-hexoxyphenyl) 4-butylbenzoate C23H30O3
4-(4-decoxyphenyl)benzoic acid C23H30O3
[(8R,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate C23H30O3
(8R,9S,10R,13S,14S,17R)-13-ethyl-17-ethynylspiro[1,2,4,7,8,9,10,11,12,14-decahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-17-ol C23H30O3
[(8S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl] pentanoate C23H30O3
[(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-8,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl] pentanoate C23H30O3
methyl 2-[3-(5-tert-butyl-2-methylphenyl)propyl]-6-methoxybenzoate C23H30O3
(1'R,2'R,3'S,5S,5'S,7'S,10'S,11'R)-7',11'-dimethylspiro[oxolane-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-2,14'-dione C23H30O3
(8S,13S,14S)-13-ethyl-17-ethynylspiro[1,2,4,6,7,8,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-17-ol C23H30O3
[(8R,9S,13S,14S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] pentanoate C23H30O3
ethyl (2E,4E,6E,8E)-3,7-dimethyl-9-[2,3,6-trimethyl-4-(trideuteriomethoxy)phenyl]nona-2,4,6,8-tetraenoate C23H30O3