ChemicalBook--->CAS DataBase List--->4954-14-7

4954-14-7

4954-14-7 Structure

4954-14-7 Structure
IdentificationBack Directory
[Name]

1,3,5(10)-ESTRATRIEN-17-ALPHA-METHYL-3,17-BETA-DIOL 3-METHYL ETHER
[CAS]

4954-14-7
[Synonyms]

METHYLESTRADIOL METHYL ETHER
17β-Estradiol DiMethyl Ether
17-ALPHA-METHYLESTRADIOL 3-METHYL ETHER
1,3,5(10)-ESTRATRIEN-17-ALPHA-METHYL-3,17-BETA-DIOL 3-METHYL ETHER
[Molecular Formula]

C20H28O2
[MDL Number]

MFCD00271544
[MOL File]

4954-14-7.mol
[Molecular Weight]

300.44
Chemical PropertiesBack Directory
[Melting point ]

160.5-162 °C(Solv: ethanol (64-17-5))
[Boiling point ]

410.0±45.0 °C(Predicted)
[density ]

1.08±0.1 g/cm3(Predicted)
[storage temp. ]

-20°C Freezer
[solubility ]

Chloroform (Slightly), DMSO (Slightly, Heated), Ethanol (Slightly), Ethyl Acetat
[form ]

Solid
[color ]

White to Off-White
[InChI]

InChI=1/C20H28O2/c1-19-10-8-16-15-7-5-14(22-3)12-13(15)4-6-17(16)18(19)9-11-20(19,2)21/h5,7,12,16-18,21H,4,6,8-11H2,1-3H3/t16-,17-,18+,19+,20+/s3
[InChIKey]

AZQAIRJYCUWZPD-CNWXAJSBNA-N
[SMILES]

[C@@]12([H])CCC3C=C(OC)C=CC=3[C@@]1([H])CC[C@]1(C)[C@](CC[C@@]21[H])(O)C |&1:0,12,16,18,21,r|
[CAS DataBase Reference]

4954-14-7
Hazard InformationBack Directory
[Chemical Properties]

Off-white Solid
[Uses]

17β-Estradiol (E888000) derivative, a hormone secreted by premenopausal ovaries.
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