Chemical Properties of 3-«alpha»,7-«alpha»-Dihydroxy-12-keto-5-«beta»-cholanoic acid, MeTMS

3-«alpha»,7-«alpha»-Dihydroxy-12-keto-5-«beta»-cholanoic acid, MeTMS

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InChI
InChI=1S/C31H56O5Si2/c1-20(11-14-28(33)34-4)23-12-13-24-29-25(19-27(32)31(23,24)3)30(2)16-15-22(35-37(5,6)7)17-21(30)18-26(29)36-38(8,9)10/h20-26,29H,11-19H2,1-10H3/t20-,21+,22-,23-,24?,25?,26-,29?,30+,31-/m0/s1
InChI Key
RMBKMRQJJQQWMM-WCJNXRPNSA-N
Formula
C31H56O5Si2
SMILES
COC(=O)CCC(C)C1CCC2C3C(O[Si](C)(C)C)CC4CC(O[Si](C)(C)C)CCC4(C)C3CC(=O)C12C
Molecular Weight1
564.94
Other Names
  • 5-«beta»-Cholanoic acid, 3-«alpha»,7-«alpha»-dihydroxy-12-one, methyl ester, TMS
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Physical Properties

Property Value Unit Source
log10WS -3.09 Crippen Calculated Property
logPoct/wat 7.464 Crippen Calculated Property
Inp [3391.00; 3391.00]   Show Hide
Inp 3391.00 NIST
Inp 3391.00 NIST
Inp 3391.00 NIST

Similar Compounds

3-«alpha»-Hydroxy-12-keto-5-«beta»-cholanoic acid, MeTMS. 3-«alpha»-12-«alpha»-Dihydroxy-7-keto-5-«beta»-cholanoic acid, MeTMS. 7-Oxo-3«alpha»-hydroxy-5«beta»-cholanic acid, methyl ester, TMS. allo-Cholanic acid, 3«alpha»,7«beta»-dihydroxy, Me-TMS. Ursodeoxycholic acid, trimethylsilyl ether-methyl ester. allo-Cholanic acid, 3«beta»,7«alpha»-dihydroxy, Me-TMS. Isochenodeoxycholic acid, trimethylsilyl ether-methyl ester. 3«beta»,7«beta»-Dihydroxy-5«beta»-cholanoic acid, MeTMS. Cholanoic acid, 3,7-dihydroxy, methyl ester, TMS. 5«beta»-cholanoate,3«alpha»,7«alpha»-dihydroxy, methyl ester-trimethylsilyl ether. Chenodeoxycholic acid, trimethylsilyl ether-methyl ester. 3«alpha»,7«beta»-Dihydroxy-5«beta»-homocholanoic acid, MeTMS. 3«beta»,7«alpha»-Dihydroxy-5«beta»-cholanoic acid, MeTMS. Homochenodeoxycholic acid, trimethylsilyl ether-methyl ester. allo-Cholanic acid, 3«alpha»,7«alpha»-dihydroxy, Me-TMS.

Find more compounds similar to 3-«alpha»,7-«alpha»-Dihydroxy-12-keto-5-«beta»-cholanoic acid, MeTMS.

Sources

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