Chemical Properties of 3-Acetoxy-17alpha-ethylestra-1,3,5(10),6,8-pentaen-17beta-ol (CAS 133070-71-0)

3-Acetoxy-17alpha-ethylestra-1,3,5(10),6,8-pentaen-17beta-ol

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InChI
InChI=1S/C22H26O3/c1-4-22(24)12-10-20-19-7-5-15-13-16(25-14(2)23)6-8-17(15)18(19)9-11-21(20,22)3/h5-8,13,20,24H,4,9-12H2,1-3H3
InChI Key
YQEMHVRYFAVXBT-UHFFFAOYSA-N
Formula
C22H26O3
SMILES
CCC1(O)CCC2c3ccc4cc(OC(C)=O)ccc4c3CCC21C
Molecular Weight1
338.44
CAS
133070-71-0
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Physical Properties

Property Value Unit Source
ΔfG° 44.50 kJ/mol Joback Calculated Property
ΔfH°gas -351.67 kJ/mol Joback Calculated Property
ΔfusH° 32.15 kJ/mol Joback Calculated Property
ΔvapH° 93.69 kJ/mol Joback Calculated Property
log10WS -6.59 Crippen Calculated Property
logPoct/wat 4.736 Crippen Calculated Property
McVol 269.210 ml/mol McGowan Calculated Property
Pc 1859.51 kPa Joback Calculated Property
Tboil 945.39 K Joback Calculated Property
Tc 1177.95 K Joback Calculated Property
Tfus 643.28 K Joback Calculated Property
Vc 1.026 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [911.37; 1076.71] J/mol×K [945.39; 1177.95] Show Hide
Cp,gas 911.37 J/mol×K 945.39 Joback Calculated Property
Cp,gas 934.76 J/mol×K 984.15 Joback Calculated Property
Cp,gas 959.37 J/mol×K 1022.91 Joback Calculated Property
Cp,gas 985.53 J/mol×K 1061.67 Joback Calculated Property
Cp,gas 1013.59 J/mol×K 1100.43 Joback Calculated Property
Cp,gas 1043.87 J/mol×K 1139.19 Joback Calculated Property
Cp,gas 1076.71 J/mol×K 1177.95 Joback Calculated Property

Similar Compounds

17 «alpha» Dihydroequilenin. Hypoxanthine-7-ethanol, 2,3-dihydro-3-(diphenylmethyl)-, acetate. Retroisosenine. N6-(cyclotetramethylene-tertbutylsilyl)-2'-Deoxyadenosine, 3',5'-bis-O-TBDMS. 2'-Deoxyadenosine, 3',5',N6-tris(O-TMTBSi). Thymidine, 3'-O-acetyl, 5'-O-TBDMS. Retroisosensine. 1,3,5(10)-Oestratriene-2-methoxy-3,16«alpha»,17«beta»-triol, 3-TBDMS-16,17-HFB. Ergocristine. Codeine-propionyl. Methyldesorphine. Ajmaline. Galantamin. 3-propionyl-morphine. 9H-Purine, 9-[2-deoxy-3-O-(trimethylsilyl)-«beta»-D-erythro-pentofuranosyl]-6-(trimethylsiloxy)-2-[(trimethylsilyl)amino]-, 5'-[bis(trimethylsilyl) phospate].

Find more compounds similar to 3-Acetoxy-17alpha-ethylestra-1,3,5(10),6,8-pentaen-17beta-ol.

Sources

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