Products 303014-90-6

CAS 303014-90-6 appears in our catalog under these names: Ethinylestradiol Dimer Impurity 1, Ethinyl Estradiol Dimer Impurity 1. Offered by: Chemat Brand, TRC. Available pack sizes: on request, 50mg.

Ethinylestradiol Dimer Impurity 1
Chemat Brand
  • size: on request
  • Variants: 1
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Ethinyl Estradiol Dimer Impurity 1
TRC
  • size: 50mg
  • Variants: 1
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Structural formula: {0} (CAS {1})

(8R,9S,13S,14S,17R)-17-ethynyl-4-[[(8R,9S,13S,14S,17R)-17-ethynyl-17-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl]oxy]-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol (CAS 303014-90-6) is a chemical compound with the molecular formula C40H46O4 and a molecular weight of 590.8 g/mol. IUPAC name: (8R,9S,13S,14S,17R)-17-ethynyl-4-[[(8R,9S,13S,14S,17R)-17-ethynyl-17-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl]oxy]-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol. InChIKey: NJQNSQBJRQOHDJ-FPISCSGHSA-N.

Identity
Molecular formulaC40H46O4
Molecular weight590.8 g/mol
IUPAC name(8R,9S,13S,14S,17R)-17-ethynyl-4-[[(8R,9S,13S,14S,17R)-17-ethynyl-17-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl]oxy]-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
InChIKeyNJQNSQBJRQOHDJ-FPISCSGHSA-N
SMILESC[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=C3C=CC(=C4)OC5=C(C=CC6=C5CC[C@@H]7[C@@H]6CC[C@]8([C@H]7CC[C@]8(C#C)O)C)O

Computed by PubChem (NCBI)

Synonyms: Ethinyl Estradiol Dimer Impurity 1, Ethinyl estradiol 4-oxy dimer
Isomers (same molecular formula)
(8R,9S,13S,14S,17R)-17-ethynyl-2-[[(8R,9S,13S,14S,17R)-17-ethynyl-17-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl]oxy]-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol C40H46O4