Chemical Properties of Kaurenic acid, Me-TMS

Kaurenic acid, Me-TMS

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InChI
InChI=1S/C21H32O2/c1-14-12-21-11-8-16-19(2,17(21)7-6-15(14)13-21)9-5-10-20(16,3)18(22)23-4/h15-17H,1,5-13H2,2-4H3/t15?,16-,17-,19+,20+,21+/m0/s1
InChI Key
DWTRNJFPDXIFSY-JLDNAQLLSA-N
Formula
C21H32O2
SMILES
C=C1CC23CC1CCC2C1(C)CCCC(C)(C(=O)OC)C1CC3
Molecular Weight1
316.48
Sources

Physical Properties

Property Value Unit Source
Δf 107.81 kJ/mol Joback Calculated Property
Δfgas -365.73 kJ/mol Joback Calculated Property
Δfus 19.16 kJ/mol Joback Calculated Property
Δvap 67.92 kJ/mol Joback Calculated Property
logPoct/wat 5.129 Crippen Calculated Property
Pc 1625.91 kPa Joback Calculated Property
Tboil 790.75 K Joback Calculated Property
Tc 1029.43 K Joback Calculated Property
Tfus 533.17 K Joback Calculated Property
Vc 1.008 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 890.86 J/mol×K 790.75 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Kaur-16-en-18-oic acid, methyl ester, (4«beta»)-. ent-Kaurenoic acid, isomer, methyl ester. methyl (4«beta»)-kaur-16-en-18-oate. (4«beta»)-kaur-16-en-18-oic acid. 4a«alpha»,4b«beta»-Gibbane-1«alpha»,10«beta»-dicarboxylic acid, 1,4a-dimethyl-8-methylene-, dimethyl ester. GA24 methyl ester. [14C4]GA24 methyl ester. GA24, Methylated. [14C] GA24 methyl ester. 4a«alpha»,4b«beta»-Gibbane-1«alpha»,10«beta»-dicarboxylic acid, 4a-formyl-1-methyl-8-methylene-, dimethyl ester. GA25, Me. [14C] GA25 methyl ester. [14C1]GA25 methyl ester. GA12 aldehyde, Me-TMS. [14C4]GA15 methyl ester TMS ether.

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