Chemical Properties of [14C4]GA15 methyl ester TMS ether

[14C4]GA15 methyl ester TMS ether

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InChI
InChI=1S/C21H28O4/c1-12-9-21-10-13(12)5-6-14(21)20-8-4-7-19(2,18(23)25-11-20)16(20)15(21)17(22)24-3/h13-16H,1,4-11H2,2-3H3/t13?,14-,15+,16?,19+,20+,21-/m1/s1/i5+2,8+2,17+2,18+2
InChI Key
SDNANUVFTHNCBP-XDCUROHDSA-N
Formula
C21H28O4
SMILES
C=C1CC23CC1CCC2C12CCCC(C)(C(=O)OC1)C2C3C(=O)OC
Molecular Weight1
344.44
Sources

Physical Properties

Property Value Unit Source
Δf -28.05 kJ/mol Joback Calculated Property
Δfgas -556.47 kJ/mol Joback Calculated Property
Δfus 26.89 kJ/mol Joback Calculated Property
Δvap 76.42 kJ/mol Joback Calculated Property
logPoct/wat 3.501 Crippen Calculated Property
Pc 1812.32 kPa Joback Calculated Property
Tboil 887.99 K Joback Calculated Property
Tc 1139.83 K Joback Calculated Property
Tfus 649.42 K Joback Calculated Property
Vc 1.000 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 954.19 J/mol×K 887.99 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
-O- (ring) 1
-CH3 2
=CH2 1
=C< (ring) 1
>C< (ring) 3
>C=O (nonring) 1
>CH- (ring) 4
-CH2- (ring) 8
>C=O (ring) 1

Similar Compounds

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

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