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Predicted properties of the compound entered.

ID GFTWFYLFSOGAEP-JXINTEHBSA-N
Formula C29H48O5
IUPAC Name 2-[(1S,3aS,4R,5S,7aR)-5-[(1R,4R)-4-(acetyloxy)-1-methyl-2-oxocyclohexyl]-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-octahydro-1H-inden-4-yl]acetic acid
SMILES
Standard InChI
Standard InChIKey
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Other Names and Identifiers
Standard InChI (User Input) InChI=1S/C29H48O5/c1-18(2)8-7-9-19(3)23-10-11-24-22(17-27(32)33)25(13-15-28(23,24)5)29(6)14-12-21(16-26(29)31)34-20(4)30/h18-19,21-25H,7-17H2,1-6H3,(H,32,33)/t19-,21-,22-,23+,24+,25+,28-,29-/m1/s1
Standard InChIKey (User Input) InChIKey=GFTWFYLFSOGAEP-JXINTEHBSA-N
Non-Standard InChI
Non-Standard InChIKey
Other Names and Identifiers
For more property data (~2,100 data sets per compound) with higher accuracy , try our new database.
Mol-Instincts Database
 
Property Value Unit Accuracy
Absolute Entropy of Ideal Gas at 298.15K and 1bar - - -
Acentric Factor - - -
Critical Compressibility Factor - - -
Critical Pressure - - -
Critical Temperature - - -
Critical Volume - - -
Enthalpy of Formation for Ideal Gas at 298.15K - - -
Liquid Molar Volume at 298.15K - - -
Molecular Weight - - -
Net Standard State Enthalpy of Combustion at 298.15K - - -
Normal Boiling Point - - -
Melting Point - - -
Refractive Index - - -
Solubility Parameter at 298.15K - - -
Standard State Absolute Entropy at 298.15K and 1bar - - -
Standard State Enthalpy of Formation at 298.15K and 1bar - - -
Magnetic Susceptibility - - -
Polarizability - - -
Flash Point - - -
Parachor - - -
Lower Flammability Limit Temperature - - -
Lower Flammability Limit Volume Percent - - -
Upper Flammability Limit Temperature - - -
Upper Flammability Limit Volume Percent - - -
Liquid Density at Normal Boiling Point - - -
Heat of Vaporization at 298.15K - - -
Heat of Vaporization at Normal Boiling Point - - -
Water Solubility - - -
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1H NMR prediction -
13C NMR prediction -
COSY -
HSQC/HMBC prediction -
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