Products 481-97-0

CAS 481-97-0 appears in our catalog under these names: Premarin/ 99.37% (existing batch purity), [(3aS,3bR,9bS,11aS)-11a-methyl-1-oxo-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl]oxidanesulfonic acid, 98%, 98%, Estrone sulfate. Offered by: TargetMol, Chemat, MedChemExpress. Available pack sizes: 1mg, 5mg, 10mg, 25mg, 50mg, 100mg, Get quote.

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

Estrone 3-sulfate is a steroid sulfate that is the 3-sulfate of estrone. It has a role as a mouse metabolite and a human metabolite. It is a steroid sulfate and a 17-oxo steroid. It is functionally related to an estrone. It is a conjugate acid of an estrone 3-sulfate(1-). It derives from a hydride of an estrane.

Source: ChEBI

Identity
Molecular formulaC18H22O5S
Molecular weight350.4 g/mol
IUPAC name[(8R,9S,13S,14S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate
InChIKeyJKKFKPJIXZFSSB-CBZIJGRNSA-N
SMILESC[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=C3C=CC(=C4)OS(=O)(=O)O

Computed by PubChem (NCBI)