1,3,5(10)-ESTRATRIEN-17-ALPHA-METHYL-3,17-BETA-DIOL 3-METHYL ETHER Chemical Properties

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

1,3,5(10)-ESTRATRIEN-17-ALPHA-METHYL-3,17-BETA-DIOL 3-METHYL ETHER Usage And Synthesis

Chemical Properties

Off-white Solid

Uses

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

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