Chemical Properties of GA24, Methylated

GA24, Methylated

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InChI
InChI=1S/C22H30O5/c1-13-10-22-11-14(13)6-7-15(22)21(12-23)9-5-8-20(2,19(25)27-4)17(21)16(22)18(24)26-3/h12,14-17H,1,5-11H2,2-4H3/t14?,15-,16+,17+,20+,21?,22-/m1/s1
InChI Key
CDZKHHKZGGMPOC-ULEKDHROSA-N
Formula
C22H30O5
SMILES
C=C1CC23CC1CCC2C1(C=O)CCCC(C)(C(=O)OC)C1C3C(=O)OC
Molecular Weight1
374.47
Sources

Physical Properties

Property Value Unit Source
Δf -212.82 kJ/mol Joback Calculated Property
Δfgas -730.93 kJ/mol Joback Calculated Property
Δfus 30.00 kJ/mol Joback Calculated Property
Δvap 85.55 kJ/mol Joback Calculated Property
logPoct/wat 3.317 Crippen Calculated Property
Pc 1582.23 kPa Joback Calculated Property
Tboil 929.64 K Joback Calculated Property
Tc 1164.39 K Joback Calculated Property
Tfus 657.88 K Joback Calculated Property
Vc 1.111 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1041.61 J/mol×K 929.64 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

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

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