Products 547-81-9

CAS 547-81-9 appears in our catalog under these names: Estriol EP Impurity F, Estriol Impurity 6 (Estriol EP Impurity F), 16-Epiestriol, >95% (HPLC), 16-Epiestriol, Ultra Pure (contains less than 0.3% Estriol), >95% (HPLC), Estra-1,3,5(10)-triene-3,16beta,17beta-triol (16-epi-Estriol). Offered by: Chemat Brand, Hubei YoungXin, TRC, Mikromol, TargetMol. Available pack sizes: on request, 10mg, 25mg, 50mg, 100mg, 200mg, 2,5mg, 5mg.

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

16beta-hydroxyestradiol is a 3-hydroxy steroid that is 17beta-estradiol substituted by a beta-hydroxy group at position 16. It has a role as an anti-inflammatory drug and a human xenobiotic metabolite. It is a 16beta-hydroxy steroid, a phenolic steroid, a member of phenols, a 17beta-hydroxy steroid and a 3-hydroxy steroid. It is functionally related to a 17beta-estradiol. It derives from a hydride of an estrane.

Source: ChEBI

Identity
Molecular formulaC18H24O3
Molecular weight288.4 g/mol
IUPAC name(8R,9S,13S,14S,16S,17R)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,16,17-triol
InChIKeyPROQIPRRNZUXQM-ZMSHIADSSA-N
SMILESC[C@]12CC[C@H]3[C@H]([C@@H]1C[C@@H]([C@@H]2O)O)CCC4=C3C=CC(=C4)O

Computed by PubChem (NCBI)