Chemical Properties of 3«alpha»,7«alpha»,12«alpha»,26-tetrahydroxy-5«beta»-C27-bile acid, methyl ester, TMS

3«alpha»,7«alpha»,12«alpha»,26-tetrahydroxy-5«beta»-C27-bile acid, methyl ester, TMS

InChI
InChI=1S/C40H80O6Si4/c1-28(18-17-19-29(38(41)42-4)27-43-47(5,6)7)32-20-21-33-37-34(26-36(40(32,33)3)46-50(14,15)16)39(2)23-22-31(44-48(8,9)10)24-30(39)25-35(37)45-49(11,12)13/h28-37H,17-27H2,1-16H3/t28?,29?,30-,31+,32+,33-,34-,35+,36-,37-,39-,40+/m1/s1
InChI Key
OUCMTBIFLNQXSB-VXIHVOOESA-N
Formula
C40H80O6Si4
SMILES
COC(=O)C(CCCC(C)C1CCC2C3C(O[Si](C)(C)C)CC4CC(O[Si](C)(C)C)CCC4(C)C3CC(O[Si](C)(C)C)C12C)CO[Si](C)(C)C
Molecular Weight1
769.40
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Physical Properties

Property Value Unit Source
ω 1.0209 Relay (1.0) Calculated Property
ΔfG° -258.14 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -1823.36 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 142.53 kJ/mol Relay (1.0) Calculated Property
IE 9.01 eV Relay (1.0) Calculated Property
log10WS -7.75 Relay (1.0) Calculated Property
logPoct/wat 10.973 Crippen Calculated Property
Inp 3715.00 NIST
Tboil 784.10 K Relay (1.0) Calculated Property
Tc 1055.52 K Relay (1.0) Calculated Property
Tfus 363.77 K Relay (1.0) Calculated Property
Vc 2.473 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

3«alpha»,7«alpha»,12«alpha»,26-tetrahydroxy-5«beta»-cholestanoate, methyl ester-trimethylsilyl ether. 3«alpha»,7«alpha»,12«alpha»,24-tetrahydroxy-5««beta»'»-C27-bile acid, methyl ester, TMS. 3«alpha»,7«alpha»,12«alpha»,24(«epsilon»)-tetrahydroxy-5«beta»-cholestanoate, methyl ester-trimethylsilyl ether. 3«alpha»,7«alpha»,12«alpha»-trihydroxy-5«beta»-C27-bile acid, methyl ester, TMS. 3-«alpha»,7-«alpha»,12-«alpha»-Trihydroxy-5-«beta»-cholestanoic acid, methyl ester, TMS. 3«alpha»,7«alpha»,12«alpha»-trihydroxy, 5«beta»-cholestanoate, methyl ester-trimethylsilyl ether. 3«alpha»,7«alpha»,12«alpha»-trihydroxy, 5«alpha»-cholestanoate, methyl ester-trimethylsilyl ether. GA83, MeTMS. 3«alpha»,7«alpha»,12«alpha»-trihydroxy-5«beta»-C29-dioic bile acid, methyl ester, TMS. 3-«alpha»,7-«alpha»-Dihydroxy-5-«beta»-cholestanoic acid, methyl ester, TMS. 3«alpha»,7«alpha»-dihydroxy-5«beta»-C27-bile acid, methyl ester, TMS. GA41, MeTMS. GA42, MeTMS. 3«alpha»,7«alpha»,12«alpha»-Trihydroxy-5«beta»-homocholanoic acid, MeTMS. Cholan-24-oic acid, 3,7,12-tris[(trimethylsilyl)oxy]-, methyl ester, (3«alpha»,5«beta»,7«alpha»,12«alpha»)-.

Find more compounds similar to 3«alpha»,7«alpha»,12«alpha»,26-tetrahydroxy-5«beta»-C27-bile acid, methyl ester, TMS.

Sources

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