Chemical Properties of [13C]GA51, MeTMS

[13C]GA51, MeTMS

InChI
InChI=1S/C23H34O5Si/c1-13-9-22-10-14(13)7-8-16(22)23-12-15(28-29(4,5)6)11-21(2,20(25)27-23)18(23)17(22)19(24)26-3/h14-18H,1,7-12H2,2-6H3/t14?,15-,16-,17-,18-,21-,22+,23-/m0/s1
InChI Key
SZCXNKBZPNFVSY-XXMNCVSDSA-N
Formula
C23H34O5Si
SMILES
C=C1CC23CC1CCC2C12CC(O[Si](C)(C)C)CC(C)(C(=O)O1)C2C3C(=O)OC
Molecular Weight1
418.60
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Physical Properties

Property Value Unit Source
ω 0.6000 Relay (1.0) Calculated Property
ΔfG° -298.24 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -974.63 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 107.27 kJ/mol Relay (1.0) Calculated Property
IE 9.03 eV Relay (1.0) Calculated Property
log10WS -3.72 Relay (1.0) Calculated Property
logPoct/wat 4.084 Crippen Calculated Property
Pc 622.44 kPa Relay (1.0-beta) Calculated Property
Inp 2518.00 NIST
Tboil 668.36 K Relay (1.0) Calculated Property
Tc 949.60 K Relay (1.0) Calculated Property
Tfus 377.90 K Relay (1.0) Calculated Property
Vc 1.215 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

GA51, MeTMS. GA40, MeTMS. GA84 Methyl ester, [D3], TMS. GA84, MeTMS. 12«beta»-OH-GA51 methyl ester TMS ether. 2«beta»-hydroxy-9,15-cyclo-GA9 (GA105), MeTMS. 2-«alpha»-Hydroxy-9,15-cyclo-GA9, methyl ester [D2], TMS. GA119 (1«alpha»-hydroxy GA9), MeTMS. GA61, MeTMS. GA47, MeTMSi. 3-epi-GA34, MeTMS. GA34 methyl ester TMS ether. [13C]endo-GA34 methyl ester TMS ether. GA35, MeTMSi. [13C]GA29 methyl ester TMS ether.

Find more compounds similar to [13C]GA51, MeTMS.

Sources

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