17-alpha-Ethynylestriol

cas: 4717-40-2 — see every product listed under this CAS number, including other names

17-alpha-Ethynylestriol (CAS 4717-40-2) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

brandChemat Brand
catalog numberULE357
cas4717-40-2
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Structural formula: {0} (CAS {1})

(8R,9S,13S,14S,16R,17R)-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,16,17-triol (CAS 4717-40-2) is a chemical compound with the molecular formula C20H24O3 and a molecular weight of 312.4 g/mol. IUPAC name: (8R,9S,13S,14S,16R,17R)-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,16,17-triol. InChIKey: VSODIPLKPBLGCC-NADOGSGZSA-N.

Identity
Molecular formulaC20H24O3
Molecular weight312.4 g/mol
IUPAC name(8R,9S,13S,14S,16R,17R)-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,16,17-triol
InChIKeyVSODIPLKPBLGCC-NADOGSGZSA-N
SMILESC[C@]12CC[C@H]3[C@H]([C@@H]1C[C@H]([C@]2(C#C)O)O)CCC4=C3C=CC(=C4)O

Computed by PubChem (NCBI)

Synonyms: 17-Ethynylestriol, Ethinylestriol, Estriol, 17-ethynyl-, (16alpha,17alpha)-19-Norpregna-1,3,5(10)-trien-20-yne-3,16,17-triol, 19-Nor-17alpha-pregna-1,3,5(10)-trien-20-yne-3,16alpha,17-triol, 17-alpha-Ethynylestriol, Nilestriol Impurity 10
Isomers (same molecular formula)
(3bR,9bS)-6-hydroxy-9b-methyl-7-propan-2-yl-3,3b,4,5,10,11-hexahydronaphtho[2,1-e][2]benzofuran-1-one C20H24O3
4-[(4-tert-butylphenyl)methoxy]-3-ethoxybenzaldehyde C20H24O3
(4-hexoxyphenyl) 4-methylbenzoate C20H24O3
(6R,8R,9S,10R,13S,14S)-10,13-dimethylspiro[7,8,9,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-6,2'-oxirane]-3,17-dione C20H24O3
(8R,9S,10R,13S,14S,17R)-17-ethynyl-17-hydroxy-13-methyl-2,7,8,9,10,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,6-dione C20H24O3
2-ethyl-2-[(2E)-2-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]cyclopentane-1,3-dione C20H24O3
(1S,2R,3R,5R,11R,12S,16S)-2,16-dimethyl-9-methylidene-4-oxapentacyclo[9.7.0.02,8.03,5.012,16]octadec-7-ene-6,15-dione C20H24O3
(8R,9S,10R,13S,14S)-6-(hydroxymethyl)-10,13-dimethyl-9,11,12,14,15,16-hexahydro-8H-cyclopenta[a]phenanthrene-3,17-dione C20H24O3
(6S,8R,9S,10R,13S,14S)-10,13-dimethylspiro[7,8,9,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-6,2'-oxirane]-3,17-dione C20H24O3
(6S,8R,9S,13S,14S,17R)-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,6,17-triol C20H24O3
(6R,8R,9S,13S,14S,17R)-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,6,17-triol C20H24O3
[(8S,13S,14S,17S)-13-methyl-3-oxo-2,6,7,8,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate C20H24O3

Also listed as

Estriol Impurity 10 Hubei YoungXin CAS 4717-40-2
17-Ethynylestriol TRC CAS 4717-40-2
(8R,9S,13S,14S,16R,17R)–17–ethynyl–13–methyl–7,8,9,11,12,13,14,15,16,17–decahydro–6H–cyclopenta(a)phenanthrene–3,16,17–triol GLPBio CAS 4717-40-2