Chemical Properties of 3«alpha»,7«alpha»,12«alpha»-trihydroxy, 5«alpha»-cholestanoate, methyl ester-trimethylsilyl ether

3«alpha»,7«alpha»,12«alpha»-trihydroxy, 5«alpha»-cholestanoate, methyl ester-trimethylsilyl ether

InChI
InChI=1S/C37H72O5Si3/c1-25(16-15-17-26(2)35(38)39-5)29-18-19-30-34-31(24-33(37(29,30)4)42-45(12,13)14)36(3)21-20-28(40-43(6,7)8)22-27(36)23-32(34)41-44(9,10)11/h25-34H,15-24H2,1-14H3/t25?,26?,27-,28-,29-,30?,31?,32-,33+,34?,36+,37-/m0/s1
InChI Key
GRUORWHHLRJZRJ-OOOQVXERSA-N
Formula
C37H72O5Si3
SMILES
COC(=O)C(C)CCCC(C)C1CCC2C3C(O[Si](C)(C)C)CC4CC(O[Si](C)(C)C)CCC4(C)C3CC(O[Si](C)(C)C)C12C
Molecular Weight1
681.22
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Physical Properties

Property Value Unit Source
ω 0.9194 Relay (1.0) Calculated Property
ΔfG° -184.55 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -1542.00 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 135.92 kJ/mol Relay (1.0) Calculated Property
IE 8.96 eV Relay (1.0) Calculated Property
log10WS -7.55 Relay (1.0) Calculated Property
logPoct/wat 10.141 Crippen Calculated Property
Pc -986.83 kPa Relay (1.0-beta) Calculated Property
Inp 3410.00 NIST
Tboil 746.05 K Relay (1.0) Calculated Property
Tc 1028.98 K Relay (1.0) Calculated Property
Tfus 378.47 K Relay (1.0) Calculated Property
Vc 2.184 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

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«beta»-C29-dioic bile acid, methyl ester, TMS. 3«alpha»,7«alpha»-dihydroxy-5«beta»-C27-bile acid, methyl ester, TMS. 3-«alpha»,7-«alpha»-Dihydroxy-5-«beta»-cholestanoic acid, methyl ester, TMS. 3«alpha»,7«alpha»,12«alpha»-Trihydroxy-5«beta»-homocholanoic acid, MeTMS. 3«alpha»,7«alpha»,12«beta»-Trihydroxy-5«beta»-cholanoic acid, methyl ester-trimethylsilyl ether. Cholanic acid, 3«beta»,7«beta»,12«alpha»-trihydroxy, Me-TMS. allo-Cholanic acid, 3«beta»,7«alpha»,12«beta»-trihydroxy, Me-TMS. Methyl 3-«beta»,7-«alpha»,12-«alpha»-trihydroxy-5-«beta»cholanoate, TMS. 3«alpha»,7«beta»,12«alpha»-Trihydroxy-5«beta»-cholanoic acid, MeTMS. allo-Cholanic acid, 3«alpha»,7«beta»,12«alpha»-trihydroxy, Me-TMS. Cholanic acid, 3«alpha»,7«beta»,12«alpha»-trihydroxy, Me-TMS. 3«alpha»,7«beta»,12«beta»-Trihydroxy-5«beta»-cholanoic acid, methyl ester-trimethylsilyl ether.

Find more compounds similar to 3«alpha»,7«alpha»,12«alpha»-trihydroxy, 5«alpha»-cholestanoate, methyl ester-trimethylsilyl ether.

Sources

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