17-beta-Estradiol 3-benzoate

cas: 50-50-0 — see every product listed under this CAS number, including other names

17-beta-Estradiol 3-benzoate (CAS 50-50-0) is a chemical reagent available from Chemat. Available pack sizes: 100mg. Offered by: Dr. Ehrenstorfer.

brandDr. Ehrenstorfer
catalog numberDRE-C13213120
cas50-50-0
size100mg
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Dr. Ehrenstorfer 100mg price on request

properties

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delivery timeTo be confirmed by Chemat
Structural formula: {0} (CAS {1})

17beta-estradiol 3-benzoate is a benzoate ester resulting from the formal condensation of benzoic acid with the phenolic hydroxy group of 17beta-estradiol. It has a role as an estrogen receptor agonist and a xenoestrogen. It is a 17beta-hydroxy steroid and a benzoate ester. It is functionally related to a 17beta-estradiol.

Source: ChEBI

Identity
Molecular formulaC25H28O3
Molecular weight376.5 g/mol
IUPAC name[(8R,9S,13S,14S,17S)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] benzoate
InChIKeyUYIFTLBWAOGQBI-BZDYCCQFSA-N
SMILESC[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C3C=CC(=C4)OC(=O)C5=CC=CC=C5

Computed by PubChem (NCBI)

Synonyms: estradiol benzoate, Estradiol 3-benzoate, Oestradiol benzoate, Oestradiol 3-benzoate, (17beta)-Estra-1,3,5(10)-triene-3,17-diol 3-benzoate, estra-1,3,5(10)-triene-3,17beta-diol 3-benzoate, Progynon b oleoso, Estradiol Benzoate Coarse Grade, Benzoestrofol, Benovocylin
Related forms of this compound
[(8R,9S,13S,14S,17R)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] benzoate C25H28O3
[(8R,9S,13S,14S,17S)-16,16,17-trideuterio-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-3-yl] benzoate C25H28O3
Isomers (same molecular formula)
1-ethoxy-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene C25H28O3
4-[(2-hydroxyphenyl)-(4-hydroxy-2,3,5-trimethylphenyl)methyl]-2,3,6-trimethylphenol C25H28O3
2-(4-trityloxybutoxy)ethanol C25H28O3
propan-2-yl 2-(2-naphthalen-2-ylethyl)-6-propan-2-yloxybenzoate C25H28O3
[(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] benzoate C25H28O3
[(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] benzoate C25H28O3
(8R,9S,13S,14S,16R)-16-hydroxy-13-methyl-3-phenylmethoxy-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one C25H28O3
1-[3,5-bis(phenylmethoxy)phenyl]pentan-1-ol C25H28O3
1-ethoxy-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene C25H28O3

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