Products 81072-41-5

CAS 81072-41-5 is the registry number for 4,16a-Dibromoestrone. Offered by: Biosynth. Available pack sizes: 10mg, 5mg, 25mg, 50mg, 100mg.

4,16a-Dibromoestrone
Biosynth
  • size: 10mg, 5mg, 25mg, 50mg
  • Variants: 5
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Structural formula: {0} (CAS {1})

(8R,9S,13S,14S,16R)-4,16-dibromo-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one (CAS 81072-41-5) is a chemical compound with the molecular formula C18H20Br2O2 and a molecular weight of 428.2 g/mol. IUPAC name: (8R,9S,13S,14S,16R)-4,16-dibromo-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one. InChIKey: WALNGSHUZXVAOU-BUSPIDHKSA-N.

Identity
Molecular formulaC18H20Br2O2
Molecular weight428.2 g/mol
IUPAC name(8R,9S,13S,14S,16R)-4,16-dibromo-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
InChIKeyWALNGSHUZXVAOU-BUSPIDHKSA-N
SMILESC[C@]12CC[C@H]3[C@H]([C@@H]1C[C@H](C2=O)Br)CCC4=C3C=CC(=C4Br)O

Computed by PubChem (NCBI)

Synonyms: 4,16a-Dibromoestrone, 4,16alpha-Dibromo Estrone, 4,16?-Dibromo Estrone, (16a)-4,16-Dibromo-3-hydroxyestra-1,3,5(10)-trien-17-one, 4,16a-Dibromo-3-hydroxyestra-1,3,5(10)-trien-17-one
Isomers (same molecular formula)
1-bromo-4-[6-(4-bromophenoxy)hexoxy]benzene C18H20Br2O2
(8R,9S,13S,14S)-2,4-dibromo-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one C18H20Br2O2
2-bromo-1-[1-(4-bromo-3-methoxyphenyl)ethyl]-5-ethyl-3-methoxybenzene C18H20Br2O2