Chemical Properties of Cholan-24-oic acid, 3,12-bis[(trimethylsilyl)oxy]-, methyl ester, (3«alpha»,5«beta»,12«alpha»)- (CAS 6818-41-3)

InChI

InChI=1S/C31H58O4Si2/c1-21(11-16-29(32)33-4)25-14-15-26-24-13-12-22-19-23(34-36(5,6)7)17-18-30(22,2)27(24)20-28(31(25,26)3)35-37(8,9)10/h21-28H,11-20H2,1-10H3

InChI Key

RDYDEBUPRPMEHW-UHFFFAOYSA-N

Formula

C31H58O4Si2

SMILES

COC(=O)CCC(C)C1CCC2C3CCC4CC(O[Si](C)(C)C)CCC4(C)C3CC(O[Si](C)(C)C)C12C

Molecular Weight¹

550.96

CAS

6818-41-3

Other Names

5«beta»-Cholanic acid, 3«alpha»,12«alpha»-bis(trimethylsiloxy)-, methyl ester
Methyl 3,12-bis[(trimethylsilyl)oxy]cholan-24-oate, (3«alpha»,5«beta»,12«alpha»)-
3-«alpha»,12-«alpha»-Dihydroxy-5-«beta»-cholanoic acid, MeTMS
5-«beta»-Cholanoic acid, 3-«alpha»-12-«alpha»-dihydroxy, methyl ester, TMS
Deoxycholic acid, trimethylsilyl ether-methyl ester
Methyl desoxycholate, 2tms derivative

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

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Physical Properties

Property	Value	Source
log₁₀WS	-3.81	Crippen Calculated Property
logP_oct/wat	8.285	Crippen Calculated Property
I_np	[3174.00; 3260.00]
I_np	3260.00	NIST
I_np	3247.00	NIST
I_np	3174.00	NIST
I_np	3174.00	NIST

Similar Compounds

Find more compounds similar to Cholan-24-oic acid, 3,12-bis[(trimethylsilyl)oxy]-, methyl ester, (3«alpha»,5«beta»,12«alpha»)-.

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