4954-14-7

Name 1,3,5(10)-ESTRATRIEN-17-ALPHA-METHYL-3,17-BETA-DIOL 3-METHYL ETHER
CAS 4954-14-7
Molecular Formula C20H28O2
MDL Number MFCD00271544
Molecular Weight 300.44
MOL File 4954-14-7.mol
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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

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