Chemical Properties of 5Beta-androstan-16beta-ylacetic acid lactone, 3beta,17beta-dihydroxy- (CAS 96191-75-2)

5Beta-androstan-16beta-ylacetic acid lactone, 3beta,17beta-dihydroxy-

InChI
InChI=1S/C21H32O3/c1-20-7-5-14(22)11-13(20)3-4-15-16(20)6-8-21(2)17(15)9-12-10-18(23)24-19(12)21/h12-17,19,22H,3-11H2,1-2H3/t12-,13-,14+,15-,16+,17+,19+,20+,21+/m0/s1
InChI Key
TWLWASBVSWBNCK-WVUNLQOWSA-N
Formula
C21H32O3
SMILES
CC12CCC(O)CC1CCC1C2CCC2(C)C1CC1CC(=O)OC12
Molecular Weight1
332.48
CAS
96191-75-2
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Physical Properties

Property Value Unit Source
ω 0.6391 Relay (1.0) Calculated Property
ΔfG° -18.16 kJ/mol Joback Calculated Property
ΔfH°gas -731.93 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 33.59 kJ/mol Joback Calculated Property
ΔvapH° 134.34 kJ/mol Relay (1.0) Calculated Property
IE 9.16 eV Relay (1.0) Calculated Property
log10WS -4.51 Relay (1.0) Calculated Property
logPoct/wat 3.932 Crippen Calculated Property
McVol 265.760 ml/mol McGowan Calculated Property
Pc 1760.97 kPa Joback Calculated Property
Tboil 694.46 K Relay (1.0) Calculated Property
Tc 986.56 K Relay (1.0) Calculated Property
Tfus 463.64 K Relay (1.0) Calculated Property
Vc 0.999 m3/kmol Relay (1.0) Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [1022.23; 1197.24] J/mol×K [903.68; 1141.33] Show Hide
Cp,gas 1022.23 J/mol×K 903.68 Joback Calculated Property
Cp,gas 1049.39 J/mol×K 943.29 Joback Calculated Property
Cp,gas 1076.88 J/mol×K 982.90 Joback Calculated Property
Cp,gas 1105.05 J/mol×K 1022.50 Joback Calculated Property
Cp,gas 1134.27 J/mol×K 1062.11 Joback Calculated Property
Cp,gas 1164.88 J/mol×K 1101.72 Joback Calculated Property
Cp,gas 1197.24 J/mol×K 1141.33 Joback Calculated Property

Similar Compounds

5Alpha-androstan-16beta-ylacetic acid lactone, 3beta,17beta-dihydroxy-. 3Beta-acetoxy-17beta-hydroxy-5alpha-androstan-16beta-ylacetic acid lactone. Acetic acid, (17beta-hydroxy-3-oxo-5beta-androstan-16-beta-yl)-, lactone. 5Alpha-androstone-3beta, 17beta-diol,16-ylacetic acid, 3,17-diacetate. 3-Oxa-a-nor-5alpha-androstan-2-one, 17-hydroxy-, acetate. 5-hydroxy-isobornyl butyrate. Bornyl hexanoate. Isobornyl laureate. Isobornyl caprate. Pentanoic acid, 1,7,7-trimethylbicyclo[2.2.1]hept-2-yl ester, endo-. 5«beta»,17«alpha»-Dihydroepitestosterone octadecanoate. 5«alpha»,17«alpha»-Dihydroepitestosterone heptanoate. 5«alpha»,17«beta»-Dihydrotestosterone heptanoate. 5«alpha»,17«beta»-Dihydrotestosterone decanoate. 5«beta»,17«alpha»-Dihydroepitestosterone decanoate.

Find more compounds similar to 5Beta-androstan-16beta-ylacetic acid lactone, 3beta,17beta-dihydroxy-.

Sources

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