Chemical Properties of Canrenone

Canrenone

InChI
InChI=1S/C22H28O3/c1-20-9-5-15(23)13-14(20)3-4-16-17(20)6-10-21(2)18(16)7-11-22(21)12-8-19(24)25-22/h3-4,13,16-18H,5-12H2,1-2H3
InChI Key
UJVLDDZCTMKXJK-UHFFFAOYSA-N
Formula
C22H28O3
SMILES
CC12CCC(=O)C=C1C=CC1C2CCC2(C)C1CCC21CCC(=O)O1
Molecular Weight1
340.46
Other Names
  • 11614 R.P.
  • 17-Hydroxy-3-oxo-17«alpha»-pregna-4,6-diene-21-carboxylic acid lactone
  • 17-Hydroxy-3-oxo-17«alpha»-pregna-4,6-diene-21-carboxylic acid «gamma»-lactone
  • 17«alpha»-(2-Carboxyethyl)-17«beta»-hydroxyandrosta-4,6-dien-3-one lactone
  • 17«alpha»-Pregna-4,6-diene-21-carboxylic acid, 17-hydroxy-3-oxo-, «gamma»-lactone
  • 20-Spiroxa-4,6-diene-3,21-dione
  • Aldadiene
  • Canrenon
  • NSC 261713
  • Phanurane
  • Pregna-4,6-diene-21-carboxylic acid, 17-hydroxy-3-oxo-, «gamma»-lactone, (17«alpha»)-
  • RP 11641
  • SC 9376
  • Spiro[17H-cyclopenta[a]phenanthrene-17,2'(5'H)-furan], pregna-4,6-diene-21-carboxylic acid deriv.
  • Spirolactone SC 14266
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
ΔfusH° 22.04 kJ/mol Joback Calculated Property
log10WS -4.72 Relay (1.0) Calculated Property
logPoct/wat 4.370 Crippen Calculated Property
McVol 266.950 ml/mol McGowan Calculated Property
Tfus 439.87 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [987.53; 1238.40] J/mol×K [924.02; 1202.24] Show Hide
Cp,gas 987.53 J/mol×K 924.02 Joback Calculated Property
Cp,gas 1021.63 J/mol×K 970.39 Joback Calculated Property
Cp,gas 1057.87 J/mol×K 1016.76 Joback Calculated Property
Cp,gas 1096.96 J/mol×K 1063.13 Joback Calculated Property
Cp,gas 1139.61 J/mol×K 1109.50 Joback Calculated Property
Cp,gas 1186.52 J/mol×K 1155.87 Joback Calculated Property
Cp,gas 1238.40 J/mol×K 1202.24 Joback Calculated Property

Similar Compounds

Megestrol acetate. 17-ACETOXY-6-CHLORO-4,6-PREGNADIENE-3,20-DIONE. 4,6-Choladienoic acid, 12-«alpha»-hydroxy-3-one, methyl ester, TMS. (17-acetyl-6-chloro-10,13-dimethyl-3-oxo-9,11,12,14,15,16-hexahydro-8H-cyclopenta[a]phenanthren-17-yl) acetate. Trenbolone, HBF. Pregna-1,4-dien-3-one, 11beta,17alpha,20,21-tetrahydroxy-, 21-acetate. 21-Acetoxy-11beta,17alpha,20alpha-trihydroxypregna-1,4-dien-3-one. Hydroxyprogesterone Caproate. GA5-13-O-«beta»-D-glucopyranoside, permethyl. Androsta-1,4-diene-16beta-propionic acid, 17beta-hydroxy-3-oxo-, delta-lactone. GA88, MeTMS. GA20-13-O-glucoside, permethylated. GA20-13-O-glucoside, permethyl. Budesonide. Lovastatin, trimethylsilyl deriv..

Find more compounds similar to Canrenone.

Sources

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.