Chemical Properties of 1-«beta»,3-«alpha»,12-«alpha»-Trihydroxy-5-«beta»-cholanoic acid, MeTMS

1-«beta»,3-«alpha»,12-«alpha»-Trihydroxy-5-«beta»-cholanoic acid, MeTMS

InChI
InChI=1S/C34H66O5Si3/c1-23(14-19-32(35)36-4)27-17-18-28-26-16-15-24-20-25(37-40(5,6)7)21-30(38-41(8,9)10)33(24,2)29(26)22-31(34(27,28)3)39-42(11,12)13/h23-31H,14-22H2,1-13H3/t23-,24-,25+,26?,27-,28?,29?,30-,31+,33+,34-/m0/s1
InChI Key
XULBSWSPHURKBG-DYXBISBCSA-N
Formula
C34H66O5Si3
SMILES
COC(=O)CCC(C)C1CCC2C3CCC4CC(O[Si](C)(C)C)CC(O[Si](C)(C)C)C4(C)C3CC(O[Si](C)(C)C)C12C
Molecular Weight1
639.14
Other Names
  • 5-«beta»-Cholanoic acid, 1-«beta»-3-«alpha»,12-«alpha»-trihydroxy, methyl ester, TMS
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Physical Properties

Property Value Unit Source
log10WS -6.94 Relay (1.0) Calculated Property
logPoct/wat 9.115 Crippen Calculated Property
Inp [3296.00; 3296.00]   Show Hide
Inp 3296.00 NIST
Inp 3296.00 NIST

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Similar Compounds

1-«beta»,3-«alpha»,7-«alpha»,12-«alpha»-Tetrahydroxy-5-«beta»-cholanoic acid, MeTMS. Methyl 23-hydroxycholate tetrakis(trimethylsilyl)-. 1-«beta»,3-«alpha»,7-«beta»-Trihydroxy-5-«beta»-cholic acid, methyl ester, TMS. Cholanic acid, 3«beta»,12«alpha»-dihydroxy, Me-TMS. 3-«alpha»,12-«alpha»-Dihydroxy-5-«alpha»-cholanoic acid, MeTMS. 3-«beta»,12-«alpha»-Dihydroxy-5-«beta»-cholanoic acid, MeTMS. allo-Cholanic acid, 3«beta»,12«beta»-dihydroxy, Me-TMS. 3-«beta»,12-«alpha»-Dihydroxy-5-«alpha»-cholanoic acid, MeTMS. allo-Cholanic acid, 3«alpha»,12«beta»-dihydroxy, Me-TMS. Cholan-24-oic acid, 3,12-bis[(trimethylsilyl)oxy]-, methyl ester, (3«alpha»,5«beta»,12«alpha»)-. allo-Cholanic acid, 3«beta»,12«alpha»-dihydroxy, Me-TMS. 5-«alpha»-Cholanoic acid, 3-«alpha»-12-«beta»-dihydroxy, methyl ester, TMS. Cholanic acid, 3«alpha»,12«beta»-dihydroxy, Me-TMS. Cholanic acid, 3«alpha»,12«alpha»-dihydroxy, Me-TMS. allo-Cholanic acid, 3«alpha»,12«alpha»-dihydroxy, Me-TMS.

Find more compounds similar to 1-«beta»,3-«alpha»,12-«alpha»-Trihydroxy-5-«beta»-cholanoic acid, MeTMS.

Sources

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