Chemical Properties of GA39 3-isovalerate, methyl ester TMS

GA39 3-isovalerate, methyl ester TMS

InChI
InChI=1S/C31H48O9Si/c1-17(2)13-23(32)39-22-11-12-31(28(35)38-7)21-14-20(40-41(8,9)10)19-16-30(21,15-18(19)3)24(26(33)36-5)25(31)29(22,4)27(34)37-6/h17,19-22,24-25H,3,11-16H2,1-2,4-10H3/t19?,20-,21+,22-,24+,25+,29+,30-,31+/m1/s1
InChI Key
JNZAETUXJDJJTN-RKDJDSNISA-N
Formula
C31H48O9Si
SMILES
C=C1CC23CC1C(O[Si](C)(C)C)CC2C1(C(=O)OC)CCC(OC(=O)CC(C)C)C(C)(C(=O)OC)C1C3C(=O)OC
Molecular Weight1
592.79
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Physical Properties

Property Value Unit Source
ω 0.8890 Relay (1.0) Calculated Property
Δf -623.54 kJ/mol Relay (1.0-beta) Calculated Property
Δfgas -1746.47 kJ/mol Relay (1.0) Calculated Property
Δvap 132.70 kJ/mol Relay (1.0) Calculated Property
IE 9.01 eV Relay (1.0) Calculated Property
log10WS -4.17 Relay (1.0) Calculated Property
logPoct/wat 4.688 Crippen Calculated Property
Inp 3067.00 NIST
Tboil 712.93 K Relay (1.0) Calculated Property
Tc 1003.54 K Relay (1.0) Calculated Property
Tfus 370.85 K Relay (1.0) Calculated Property
Vc 1.657 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

12«alpha»-hydroxy-GA37 methyl ester TMS ether. 12-«beta»-Hydroxy-GA13, methyl ester, TMS. 2«beta»,12«alpha»-(OH)2GA25 methyl ester. GA74, MeTMS. 12-«beta»-Hydroxy-GA14, methyl ester, TMS. GA39, methyl ester TMS. GA49 methyl ester TMS ether. GA48 methyl ester TMS ether. GA58 methyl ester TMS ether. 12«beta»-OH-GA4 methyl ester TMS ether. GA71, MeTMS. [13C] GA58 methyl ester TMS ether. GA85, MeTMSi. [13C]GA8 methyl ester TMS ether. GA8-catabolite, MeTMS.

Find more compounds similar to GA39 3-isovalerate, methyl ester TMS.

Sources

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