Chemical Properties of Cholanic acid, 3.alpha.,6.alpha.,7.alpha.-trihydroxy, Me-DMES

Cholanic acid, 3.alpha.,6.alpha.,7.alpha.-trihydroxy, Me-DMES

InChI
InChI=1S/C37H72O5Si3/c1-14-43(8,9)40-27-21-23-37(6)30-22-24-36(5)28(26(4)17-20-32(38)39-7)18-19-29(36)33(30)35(42-45(12,13)16-3)34(31(37)25-27)41-44(10,11)15-2/h26-31,33-35H,14-25H2,1-13H3/t26-,27-,28-,29+,30+,31+,33+,34-,35+,36-,37-/m1/s1
InChI Key
NMKQJZYPICMVQH-YTWOWHBRSA-N
Formula
C37H72O5Si3
SMILES
CC[Si](C)(C)O[C@@H]1CC[C@@]2(C)[C@@H](C1)[C@@H](O[Si](C)(C)CC)[C@@H](O[Si](C)(C)CC)[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]([C@H](C)CCC(=O)OC)CC[C@@H]12
Molecular Weight1
681.24
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Physical Properties

Property Value Unit Source
log10WS -7.14 Relay (1.0) Calculated Property
logPoct/wat 10.285 Crippen Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, 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

Hyocholic acid, trimethyl ether-methyl ester. Cholanic acid, 3«alpha»,6«alpha»,7«alpha»-trihydroxy, Me-TMS. 3-«alpha»,6-«alpha»,7-«beta»-Trihydroxy-5-«beta»-cholic acid, methyl ester, TMS. «alpha»-Muricholic acid, trimethyl ether-methyl ester. 3«alpha»,6«beta»,7«beta»-Trihydroxy-5«beta»-cholanoic acid, MeTMS. 3-«alpha»,4-«xi»,7-«beta»-Trihydroxy-5-«beta»-cholic acid, methyl ester, TMS. 3«beta»,4«beta», 7«alpha»-trihydroxy-5«beta»-cholanoic acid, methyl ester-trimethylsilyl-ether derivative. 3«alpha»,4«beta», 7«alpha»-trihydroxy-5«beta»-cholanoic acid, methyl ester-trimethylsilyl-ether derivative. 5-«beta»-Cholanoic acid, 3-«alpha»,4-«beta»,7-«alpha»-trihydroxy, methyl ester, TMS. Cholanic acid, 3«alpha»,6«alpha»-dihydroxy, Me-DMES. 3«beta»,4«beta»-dihydroxy-5«beta»-cholanoic acid, methyl ester-trimethylsilyl-ether derivative. 3«alpha»,4«beta»-dihydroxy-5«beta»-cholanoic acid, methyl ester-trimethylsilyl-ether derivative. 3«alpha»,6«alpha»,7«beta»,12«alpha»-Tetrahydroxy-5«beta»-cholanoic acid, methyl ester-trimethylsilyl ether. 3«alpha»,6«beta»,7«beta»,12«alpha»-Tetrahydroxy-5«beta»-cholanoic acid, MeTMS. 3«alpha»,6«beta»,7«alpha»,12«beta»-Tetrahydroxy-5«beta»-cholanoic acid, MeTMS.

Find more compounds similar to Cholanic acid, 3.alpha.,6.alpha.,7.alpha.-trihydroxy, Me-DMES.

Sources

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