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2,4-Dibromo-16a-hydroxyestrone
CAS
79258-14-3
Catalog Number
ACM79258143
Category
Other Products
Molecular Weight
444.16
Molecular Formula
C18H20Br2O3
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Specification
Synonyms
2,4-Dibromo-3,16α-dihydroxyestra-1,3,5(10)-trien-17-one
(16α)-2,4-Dibromo-3,16-dihydroxyestra-1,3,5(10)-trien-17-one
(16α)-2,4-Dibromo-3,16-dihydroxyestra-1,3,5(10)-trien-17-one
IUPAC Name
(8R,13S,16R)-2,4-dibromo-3,16-dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
Canonical SMILES
CC12CCC3C(C1CC(C2=O)O)CCC4=C(C(=C(C=C34)Br)O)Br
InChI Key
JTPNAPKUXFXZOQ-POOHPLPDSA-N
Boiling Point
495.574ºC at 760 mmHg
Flash Point
253.514ºC
Density
1.698g/cm³
Appearance
Yellow Solid
Exact Mass
441.97800
H-Bond Acceptor
3
H-Bond Donor
2
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