Chemical Properties of Cholan-24-oic acid, 3-[(trimethylsilyl)oxy]-, methyl ester, (3«alpha»,5«beta»)- (CAS 59953-47-8)

InChI

InChI=1S/C28H50O3Si/c1-19(8-13-26(29)30-4)23-11-12-24-22-10-9-20-18-21(31-32(5,6)7)14-16-27(20,2)25(22)15-17-28(23,24)3/h19-25H,8-18H2,1-7H3

InChI Key

MMCLGKIAEUXBCF-UHFFFAOYSA-N

Formula

C28H50O3Si

SMILES

COC(=O)CCC(C)C1CCC2C3CCC4CC(O[Si](C)(C)C)CCC4(C)C3CCC12C

Molecular Weight¹

462.78

CAS

59953-47-8

Other Names

Methyl 3-[(trimethylsilyl)oxy]cholan-24-oate, (3«alpha»,5«beta»)-
3«alpha»-Hydroxy-5«beta»-cholanoic acid, methyl ester, trimethylsilyl ether
3-«alpha»-Hydroxy-5-«beta»-cholanoic acid, methyl ester, TMS ether
5-«beta»-Cholanoic acid, 3-«alpha».-hydroxy, methyl ester, TMS
Lithocholic acid, trimethylsilyl ether, methyl ester
3«alpha»-hydroxy-5«beta»-cholanoic acid, MeTMS
Methyl lithocholate, (3«alpha»,5«beta»)-, tms derivative

log₁₀WS : Log10 of Water solubility in mol/l.
logP_oct/wat : Octanol/Water partition coefficient.
I_np : Non-polar retention indices.
I : Polar retention indices.
¹: Molecular weight from the IUPAC atomic weights tables.

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Physical Properties

Property	Value	Source
log₁₀WS	-5.30	Crippen Calculated Property
logP_oct/wat	7.455	Crippen Calculated Property
I_np	[3103.00; 3179.00]
I_np	3133.00	NIST
I_np	3179.00	NIST
I_np	3157.00	NIST
I_np	3103.00	NIST
I_np	3103.00	NIST
I_np	3133.00	NIST
I	3647.00	NIST

Similar Compounds

Find more compounds similar to Cholan-24-oic acid, 3-[(trimethylsilyl)oxy]-, methyl ester, (3«alpha»,5«beta»)-.

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