CAS
54063-28-4 Purity
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54063-28-4 Purity
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![[4-[3-[4-[4-(10,13-Dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)pentanoyloxy]phenyl]-2-oxo-1H-indol-3-yl]phenyl]4-(10,13-dimethyl-3,7,12-trioxo-1,2,4](https://resource.alfa-chemistry.com/structure/54063-34-2.gif)
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Cloxestradiol
CAS
54063-33-1
Catalog Number
ACM54063331
Category
Other Products
Molecular Weight
419.773
Molecular Formula
C20H25Cl3O3
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Specification
Synonyms
Cloxestradiol, Cloxestradiolum, Cloxestradiol [INN], UNII-42R9MZG1DL, CID194705, 2,2,2-Trichlor-1-(3-hydroxy-1,3,5(10)-estratrien-17beta-yloxy)ethanol, 54063-33-1
IUPAC Name
(8R,9S,13S,14S,17S)-13-methyl-17-(2,2,2-trichloro-1-hydroxyethoxy)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol
Canonical SMILES
CC12CCC3C(C1CCC2OC(C(Cl)(Cl)Cl)O)CCC4=C3C=CC(=C4)O
InChI Key
JVLHMVXGPLKLFV-AJUWMHLFSA-N
Boiling Point
503.8ºC at 760mmHg
Flash Point
258.5ºC
Density
1.39g/cm³
Exact Mass
418.08700
H-Bond Acceptor
3
H-Bond Donor
2
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