Chemical Properties of 3Beta-acetoxy-17beta-hydroxy-5alpha-androstan-16beta-ylacetic acid lactone (CAS 125567-32-0)

3Beta-acetoxy-17beta-hydroxy-5alpha-androstan-16beta-ylacetic acid lactone

InChI
InChI=1S/C23H34O4/c1-13(24)26-16-6-8-22(2)15(12-16)4-5-17-18(22)7-9-23(3)19(17)10-14-11-20(25)27-21(14)23/h14-19,21H,4-12H2,1-3H3
InChI Key
PAONJAURFWGCAT-UHFFFAOYSA-N
Formula
C23H34O4
SMILES
CC(=O)OC1CCC2(C)C(CCC3C2CCC2(C)C3CC3CC(=O)OC32)C1
Molecular Weight1
374.51
CAS
125567-32-0
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Physical Properties

Property Value Unit Source
ω 0.6067 Relay (1.0) Calculated Property
ΔfG° -98.42 kJ/mol Joback Calculated Property
ΔfH°gas -904.08 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 37.46 kJ/mol Joback Calculated Property
ΔvapH° 123.98 kJ/mol Relay (1.0) Calculated Property
IE 8.96 eV Relay (1.0) Calculated Property
log10WS -5.11 Relay (1.0) Calculated Property
logPoct/wat 4.502 Crippen Calculated Property
McVol 295.510 ml/mol McGowan Calculated Property
Pc 1455.68 kPa Joback Calculated Property
Tboil 696.44 K Relay (1.0) Calculated Property
Tc 977.59 K Relay (1.0) Calculated Property
Tfus 422.81 K Relay (1.0) Calculated Property
Vc 1.102 m3/kmol Relay (1.0) Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [1133.12; 1324.02] J/mol×K [933.55; 1181.55] Show Hide
Cp,gas 1133.12 J/mol×K 933.55 Joback Calculated Property
Cp,gas 1162.79 J/mol×K 974.88 Joback Calculated Property
Cp,gas 1192.81 J/mol×K 1016.22 Joback Calculated Property
Cp,gas 1223.56 J/mol×K 1057.55 Joback Calculated Property
Cp,gas 1255.42 J/mol×K 1098.88 Joback Calculated Property
Cp,gas 1288.78 J/mol×K 1140.22 Joback Calculated Property
Cp,gas 1324.02 J/mol×K 1181.55 Joback Calculated Property

Similar Compounds

3-Oxa-a-nor-5alpha-androstan-2-one, 17-hydroxy-, acetate. Acetic acid, (17beta-hydroxy-3-oxo-5beta-androstan-16-beta-yl)-, lactone. 5Alpha-androstan-16beta-ylacetic acid lactone, 3beta,17beta-dihydroxy-. 5Beta-androstan-16beta-ylacetic acid lactone, 3beta,17beta-dihydroxy-. 5Alpha-androstone-3beta, 17beta-diol,16-ylacetic acid, 3,17-diacetate. Homocholic acid, acetate-methyl ester. Isobornyl caprate. Isobornyl laureate. Bornyl hexanoate. Norcholic acid, acetate-methyl ester. Pentanoic acid, 1,7,7-trimethylbicyclo[2.2.1]hept-2-yl ester, endo-. 24-Norcholan-23-oic acid, 3,12-bis(acetyloxy)-, methyl ester, (3«alpha»,5«beta»,12«alpha»)-. 3«alpha»,7«beta»,12«beta»-Trihydroxy-5«beta»-cholanoic acid, acetate-methyl ester. 3«alpha»,7«alpha»,12«beta»-Trihydroxy-5«beta»-cholanoic acid, acetate-methyl ester. Cholan-24-oic acid, 3,7,12-tris(acetyloxy)-, methyl ester, (3«alpha»,5«beta»,7«alpha»,12«alpha»)-.

Find more compounds similar to 3Beta-acetoxy-17beta-hydroxy-5alpha-androstan-16beta-ylacetic acid lactone.

Sources

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