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

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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(CCC3C4CC5CC(=O)OC5C4(C)CCC32)C1
Molecular Weight1
374.51
CAS
125567-32-0
Sources

Physical Properties

Property Value Unit Source
Δf -98.42 kJ/mol Joback Calculated Property
Δfgas -750.23 kJ/mol Joback Calculated Property
Δfus 37.46 kJ/mol Joback Calculated Property
Δvap 81.59 kJ/mol Joback Calculated Property
logPoct/wat 4.50 Crippen Calculated Property
Pc 1455.68 kPa Joback Calculated Property
Tboil 933.55 K Joback Calculated Property
Tc 1181.55 K Joback Calculated Property
Tfus 618.86 K Joback Calculated Property
Vc 1.11 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1133.12 J/mol×K 933.55 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
-O- (ring) 1
>C=O (ring) 1
>C=O (nonring) 1
>C< (ring) 2
-CH3 3
>CH- (ring) 7
-CH2- (ring) 9

Similar Compounds

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

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