Chemical Properties of 5Alpha-androstone-3beta, 17beta-diol,16-ylacetic acid, 3,17-diacetate (CAS 125638-43-9)

5Alpha-androstone-3beta, 17beta-diol,16-ylacetic acid, 3,17-diacetate

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InChI
InChI=1S/C25H38O6/c1-14(26)30-18-7-9-24(3)17(13-18)5-6-19-20(24)8-10-25(4)21(19)11-16(12-22(28)29)23(25)31-15(2)27/h16-21,23H,5-13H2,1-4H3,(H,28,29)
InChI Key
ZCECNGOCGUYLHX-UHFFFAOYSA-N
Formula
C25H38O6
SMILES
CC(=O)OC1C(CC(=O)O)CC2C3CCC4CC(OC(C)=O)CCC4(C)C3CCC21C
Molecular Weight1
434.57
CAS
125638-43-9
Sources

Physical Properties

Property Value Unit Source
Δf -440.99 kJ/mol Joback Calculated Property
Δfgas -1124.56 kJ/mol Joback Calculated Property
Δfus 46.57 kJ/mol Joback Calculated Property
Δvap 109.65 kJ/mol Joback Calculated Property
logPoct/wat 4.59 Crippen Calculated Property
Pc 1274.60 kPa Joback Calculated Property
Tboil 1095.47 K Joback Calculated Property
Tc 1341.39 K Joback Calculated Property
Tfus 707.34 K Joback Calculated Property
Vc 1.29 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1380.02 J/mol×K 1095.47 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 2
>C=O (nonring) 3
-OH (alcohol) 1
-CH2- 1
>C< (ring) 2
-CH3 4
>CH- (ring) 7
-CH2- (ring) 8

Similar Compounds

5Alpha-androstan-16beta-ylacetic acid lactone, 3beta,17beta-dihydroxy-. 5Beta-androstan-16beta-ylacetic acid lactone, 3beta,17beta-dihydroxy-. 3Beta-acetoxy-17beta-hydroxy-5alpha-androstan-16beta-ylacetic acid lactone. 3-Oxa-a-nor-5alpha-androstan-2-one, 17-hydroxy-, acetate. Cholan-24-oic acid, 3,12-bis(acetyloxy)-, methyl ester, (3«alpha»,5«beta»,12«alpha»)-. 24-Norcholan-23-oic acid, 3,12-bis(acetyloxy)-, methyl ester, (3«alpha»,5«beta»,12«alpha»)-. Acetic acid, (17beta-hydroxy-3-oxo-5beta-androstan-16-beta-yl)-, lactone. 5-hydroxy-isobornyl butyrate. Homocholic acid, acetate-methyl ester. (20RS)-3.beta.-Acetoxylupan-29-al. Isobornyl laureate. Isobornyl caprate. Cholan-24-oic acid, 3,7,12-tris(acetyloxy)-, methyl ester, (3«alpha»,5«beta»,7«beta»,12«alpha»)-. 3«alpha»,7«alpha»,12«beta»-Trihydroxy-5«beta»-cholanoic acid, acetate-methyl ester. 3«alpha»,7«beta»,12«beta»-Trihydroxy-5«beta»-cholanoic acid, acetate-methyl ester.

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