Chemical Properties of 17Alpha-ethyl-3-methoxyestra-1,3,5(10)-trien-17beta-ol (CAS 17550-03-7)

17Alpha-ethyl-3-methoxyestra-1,3,5(10)-trien-17beta-ol

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InChI
InChI=1S/C21H30O2/c1-4-21(22)12-10-19-18-7-5-14-13-15(23-3)6-8-16(14)17(18)9-11-20(19,21)2/h6,8,13,17-19,22H,4-5,7,9-12H2,1-3H3
InChI Key
NVYBDSYHTNOJSQ-UHFFFAOYSA-N
Formula
C21H30O2
SMILES
CCC1(O)CCC2C3CCc4cc(OC)ccc4C3CCC21C
Molecular Weight1
314.46
CAS
17550-03-7
Other Names
  • 3-methoxy-19-nor-17-«alpha»-pregna-1,3,5(10)-trien-17-«beta»-ol
Sources

Physical Properties

Property Value Unit Source
Δf 108.92 kJ/mol Joback Calculated Property
Δfgas -351.75 kJ/mol Joback Calculated Property
Δfus 28.44 kJ/mol Joback Calculated Property
Δvap 82.19 kJ/mol Joback Calculated Property
logPoct/wat 4.69 Crippen Calculated Property
Pc 1744.82 kPa Joback Calculated Property
Tboil 851.02 K Joback Calculated Property
Tc 1074.69 K Joback Calculated Property
Tfus 547.04 K Joback Calculated Property
Vc 0.99 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 892.71 J/mol×K 851.02 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
=CH- (ring) 3
-OH (alcohol) 1
=C< (ring) 3
-CH2- 1
>C< (ring) 2
-CH3 3
>CH- (ring) 3
-CH2- (ring) 6

Similar Compounds

Estra-1,3,5(10)-trien-17-ol, 3-methoxy-, (17«beta»)-. (17«alpha»)-3-Methoxyestra-1,3,5(10)-trien-17-ol. 1,3,5(10)-Oestratrien-17«alpha»-ol, 3-methoxy. Estra-1,3,5(10)-triene-3,17-diol, 17-methyl-, (17.beta.)-. Estra-1,3,5(10)-triene, 3,17-dimethoxy-, (17.beta.)-. Mestranol. «alpha»-Estradiol. Estradiol. 17.alpha.-ethynylestradiol, 3-formate. Estriol, trimethyl ether. 17.beta.-Oestradiol, 3-methoxy, TMS. 17.alpha.-ethynylestradiol, 3-acetate. Ethinyl estradiol. Epiestriol. Estriol.

Find more compounds similar to 17Alpha-ethyl-3-methoxyestra-1,3,5(10)-trien-17beta-ol.

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