Products 72-33-3

CAS 72-33-3 appears in our catalog under these names: ETHYNYLESTRADIOL 3-METHYL ETHER, Mestranol, >95% (HPLC), Mestranol, Mestranol/ 100%, Mestranol (Standard). Offered by: Sigma-Aldrich, TRC, Mikromol, LoGiCal, Dr. Ehrenstorfer. Available pack sizes: 500MG, 10mg, 50mg, 250mg, 100mg, 200mg, 10mM (in 1ml dmso), 2000mg.

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

Mestranol is a terminal acetylenic compound that is (17alpha)-17-ethynylestra-1(10),2,4-triene substituted by a methoxy group at position 3 and a hydroxy group at position 17. It has a role as a prodrug and a xenoestrogen. It is a 17beta-hydroxy steroid, an aromatic ether and a terminal acetylenic compound. It is functionally related to a 17beta-estradiol.

Source: ChEBI

Identity
Molecular formulaC21H26O2
Molecular weight310.4 g/mol
IUPAC name(8R,9S,13S,14S,17R)-17-ethynyl-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol
InChIKeyIMSSROKUHAOUJS-MJCUULBUSA-N
SMILESC[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=C3C=CC(=C4)OC

Computed by PubChem (NCBI)