Chemical Properties of Cholan-24-oic acid, 3,7-bis[(trimethylsilyl)oxy]-, trimethylsilyl ester, (3«alpha»,5«beta»,7«alpha»)- (CAS 55320-14-4)

Cholan-24-oic acid, 3,7-bis[(trimethylsilyl)oxy]-, trimethylsilyl ester, (3«alpha»,5«beta»,7«alpha»)-

InChI
InChI=1S/C33H64O4Si3/c1-23(13-16-30(34)37-40(10,11)12)26-14-15-27-31-28(18-20-33(26,27)3)32(2)19-17-25(35-38(4,5)6)21-24(32)22-29(31)36-39(7,8)9/h23-29,31H,13-22H2,1-12H3/t23-,24+,25-,26-,27+,28+,29-,31+,32+,33-/m0/s1
InChI Key
TUMUEXLHVCPQOP-XQNMAFGOSA-N
Formula
C33H64O4Si3
SMILES
CC(CCC(=O)O[Si](C)(C)C)C1CCC2C3C(O[Si](C)(C)C)CC4CC(O[Si](C)(C)C)CCC4(C)C3CCC12C
Molecular Weight1
609.12
CAS
55320-14-4
Other Names
  • Trimethylsilyl 3,7-bis[(trimethylsilyl)oxy]cholan-24-oate, (3«alpha»,5«beta»,7«alpha»)-
  • Chenodeoxycholic acid, bis(trimethylsilyl) ether, trimethylsilyl ester
  • Trimethylsilyl (3«alpha»,5«beta»,7«alpha»)-3,7-bis[(trimethylsilyl)oxy]cholan-24-oate
  • 3«alpha»,7«alpha»-dihydroxy-5«beta»-cholan-24-oic acid, tris-TMS
  • 3«alpha»,7«alpha»-dihydroxy-5«beta»-cholan-24-oic acid, TMS
  • 3«alpha»,7«beta»-dihydroxy-5«beta»-cholan-24-oic acid, TMS
  • Chenodeoxycholic acid, (3«alpha»,5«beta»,7«alpha»)-, 3tms
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Physical Properties

Property Value Unit Source
log10WS -7.05 Relay (1.0) Calculated Property
logPoct/wat 9.490 Crippen Calculated Property
Inp [3235.00; 3287.00]   Show Hide
Inp 3235.00 NIST
Inp 3240.00 NIST
Inp 3282.00 NIST
Inp 3287.00 NIST
Inp 3235.00 NIST
Tfus 383.27 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Similar Compounds

Ursodeoxycholic acid, bis(trimethylsilyl) ether, trimethylsilyl ester. Cholan-24-oic acid, 3,7,12-tri(trimethylsilyloxy)-, trimethylsilyl ester, (3«alpha», 5«beta», 7«alpha», 12«alpha»)-. Deoxycholic acid, tris(trimethylsilyl) deriv.. 3«alpha»,7«alpha»-Dihydroxy-5«beta»-cholestanoic acid, MeTMS. 3-«alpha»-Trimethylsilyloxycholanic acid, trimethylsilyl ester. 3«alpha»,7«alpha»,12«alpha»-Trihydroxy-5«beta»-cholestanoic acid, MeTMS. (20R/S)-3.beta.,29-bis-(Trimethylsilyoxy)lupan-29-oate, # 2. (20R/S)-3.beta.,29-bis-(Trimethylsilyoxy)lupan-29-oate, # 1. 3«alpha»,7«alpha»,17«alpha»-trihydroxy-5«beta»-cholan-24-oic acid, TMS. 3«alpha»,7«beta»,17«alpha»-trihydroxy-5«beta»-cholan-24-oic acid, TMS. 3«alpha»,7«beta»-dihydroxy-5«beta»-cholan-24-oic acid, DMESI. 3«alpha»,7«alpha»-dihydroxy-5«beta»-cholan-24-oic acid, DMESI. Isochenodeoxycholic acid, trimethylsilyl ether-methyl ester. Chenodeoxycholic acid, trimethylsilyl ether-methyl ester. allo-Cholanic acid, 3«beta»,7«beta»-dihydroxy, Me-TMS.

Find more compounds similar to Cholan-24-oic acid, 3,7-bis[(trimethylsilyl)oxy]-, trimethylsilyl ester, (3«alpha»,5«beta»,7«alpha»)-.

Sources

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