Products 690996-23-7

CAS 690996-23-7 is the registry number for Estetrol Impurity 3. Offered by: Chemat Brand. Available pack sizes: on request.

Estetrol Impurity 3
Chemat Brand
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  • Variants: 1
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Structural formula: {0} (CAS {1})

[(8R,9S,13S,14S,15R,16R,17S)-3,15,16-trihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] acetate (CAS 690996-23-7) is a chemical compound with the molecular formula C20H26O5 and a molecular weight of 346.4 g/mol. IUPAC name: [(8R,9S,13S,14S,15R,16R,17S)-3,15,16-trihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] acetate. InChIKey: VHOMSUGRAWOOOF-BVMALAMASA-N.

Identity
Molecular formulaC20H26O5
Molecular weight346.4 g/mol
IUPAC name[(8R,9S,13S,14S,15R,16R,17S)-3,15,16-trihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] acetate
InChIKeyVHOMSUGRAWOOOF-BVMALAMASA-N
SMILESCC(=O)O[C@@H]1[C@@H]([C@@H]([C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=C3C=CC(=C4)O)C)O)O

Computed by PubChem (NCBI)

Synonyms: Estetrol 17-Acetate, 3,15alpha,16alpha-Trihydroxyestra-1,3,5(10)-trien-17alpha-yl acetate, (16alpha,17alpha)-3,15,16-Trihydroxyestra-1,3,5(10)-trien-17-yl acetate
Isomers (same molecular formula)
2-(3-hexyl-4,8-dimethyl-2-oxochromen-7-yl)oxypropanoic acid C20H26O5
(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-17-carboxylic acid C20H26O5
methyl (1R,2R,5R,8R,9S,10R,11S,12S)-12-hydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylate C20H26O5
(1R,2S,3S,4R,8R,9R,12R)-8-formyl-4-methyl-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadecane-2,4-dicarboxylic acid C20H26O5
(1R,2R,5S,8S,9S,10S,11R)-5-hydroxy-11-methyl-6-methylidene-12-oxo-13-oxapentacyclo[9.3.3.15,8.01,10.02,8]octadecane-9-carboxylic acid C20H26O5
(8S,9S,10R,11S,13S,14S,17S)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-17-carboxylic acid C20H26O5
(8S,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3,11-dioxo-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-17-carboxylic acid C20H26O5
(1R,8R,9R,10S)-3,4,9-trihydroxy-11,11-dimethyl-5-propan-2-yl-16-oxatetracyclo[6.6.2.01,10.02,7]hexadeca-2,4,6-trien-15-one C20H26O5
(1R,2R,5R,8R,9S,10R,11S,12S,13R)-12-hydroxy-11,13-dimethyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylic acid C20H26O5