Chemical Properties of 3«alpha»,7«alpha»,12«alpha»-Trihydroxy-5«beta»-homocholanoic acid, MeTMS

3«alpha»,7«alpha»,12«alpha»-Trihydroxy-5«beta»-homocholanoic acid, MeTMS

InChI
InChI=1S/C35H68O5Si3/c1-24(15-14-16-32(36)37-4)27-17-18-28-33-29(23-31(35(27,28)3)40-43(11,12)13)34(2)20-19-26(38-41(5,6)7)21-25(34)22-30(33)39-42(8,9)10/h24-31,33H,14-23H2,1-13H3/t24-,25?,26-,27?,28?,29?,30-,31+,33?,34+,35-/m0/s1
InChI Key
ATLPMJCJNAJKBU-WEFHNKALSA-N
Formula
C35H68O5Si3
SMILES
COC(=O)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
653.17
Other Names
  • Homocholic acid, trimethylsilyl ether-methyl ester
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Physical Properties

Property Value Unit Source
ω 0.8911 Relay (1.0) Calculated Property
ΔfG° -197.41 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -1488.48 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 133.46 kJ/mol Relay (1.0) Calculated Property
IE 8.85 eV Relay (1.0) Calculated Property
log10WS -7.11 Relay (1.0) Calculated Property
logPoct/wat 9.505 Crippen Calculated Property
Inp [3350.00; 3384.00]   Show Hide
Inp 3350.00 NIST
Inp 3384.00 NIST
Tboil 746.08 K Relay (1.0) Calculated Property
Tc 1020.81 K Relay (1.0) Calculated Property
Tfus 378.17 K Relay (1.0) Calculated Property
Vc 2.084 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

Cholanic acid, 3«beta»,7«alpha»,12«beta»-trihydroxy, Me-TMS. allo-Cholanic acid, 3«beta»,7«beta»,12«beta»-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. allo-Cholanic acid, 3«alpha»,7«alpha»,12«alpha»-trihydroxy, Me-TMS. 5«beta»-cholanoate,3«alpha»,7«alpha»,12«alpha»-trihydroxy, methyl ester-trimethylsilyl ether. allo-Cholanic acid, 3«alpha»,7«alpha»,12«beta»-trihydroxy, Me-TMS. 5«alpha»-cholanoate,3«alpha»,7«alpha»,12«alpha»-trihydroxy, methyl ester-trimethylsilyl ether. Cholanic acid, 3«alpha»,7«alpha»,12«beta»-trihydroxy, Me-TMS. 3«alpha»,12«alpha»-Dihydroxy-5«beta»-cholanoic acid, methyl ester-trimethylsilyl ether. 3«alpha»,7«alpha»,12«beta»-Trihydroxy-5«beta»-cholanoic acid, methyl ester-trimethylsilyl ether.

Find more compounds similar to 3«alpha»,7«alpha»,12«alpha»-Trihydroxy-5«beta»-homocholanoic acid, MeTMS.

Sources

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