Products 57-63-6

CAS 57-63-6 appears in our catalog under these names: Ethinyl Estradiol, Ethinylestradiol, Ethynyl Estradiol, >95% (HPLC), 17a-Ethinylestradiol, 17a-Ethinylestradiol 100 µg/mL in Acetonitrile. Offered by: Chemat Brand, Hubei YoungXin, TRC, Mikromol, LoGiCal. Available pack sizes: on request, 10mg, 25mg, 50mg, 100mg, 200mg, 1g, 2,5g.

Structural formula: {0} (CAS {1})

17alpha-ethynylestradiol is a 3-hydroxy steroid that is estradiol substituted by a ethynyl group at position 17. It is a xenoestrogen synthesized from estradiol and has been shown to exhibit high estrogenic potency on oral administration. It has a role as a xenoestrogen. It is a 3-hydroxy steroid, a 17-hydroxy steroid and a terminal acetylenic compound. It is functionally related to a 17beta-estradiol and an estradiol.

Source: ChEBI

Identity
Molecular formulaC20H24O2
Molecular weight296.4 g/mol
IUPAC name(8R,9S,13S,14S,17R)-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
InChIKeyBFPYWIDHMRZLRN-SLHNCBLASA-N
SMILESC[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=C3C=CC(=C4)O

Computed by PubChem (NCBI)