Chemical Properties of 5-«beta»-Cholanoic acid, 3-«alpha»,4-«beta»,12-«alpha»-trihydroxy, methyl ester, TMS

5-«beta»-Cholanoic acid, 3-«alpha»,4-«beta»,12-«alpha»-trihydroxy, methyl ester, TMS

InChI
InChI=1S/C34H66O5Si3/c1-23(14-19-31(35)36-4)25-17-18-26-24-15-16-27-32(39-42(11,12)13)29(37-40(5,6)7)20-21-33(27,2)28(24)22-30(34(25,26)3)38-41(8,9)10/h23-30,32H,14-22H2,1-13H3/t23-,24?,25-,26?,27-,28?,29-,30+,32-,33+,34-/m0/s1
InChI Key
HUODHVYTPOSCBY-HHBLUBSASA-N
Formula
C34H66O5Si3
SMILES
COC(=O)CCC(C)C1CCC2C3CCC4C(O[Si](C)(C)C)C(O[Si](C)(C)C)CCC4(C)C3CC(O[Si](C)(C)C)C12C
Molecular Weight1
639.14
Other Names
  • 3-«alpha»,4-«beta»,12-«alpha»-Trihydroxy-5-«beta»-cholanoic acid, MeTMS
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Physical Properties

Property Value Unit Source
ω 0.8487 Relay (1.0) Calculated Property
ΔfG° -217.40 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -1459.06 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 131.73 kJ/mol Relay (1.0) Calculated Property
IE 8.87 eV Relay (1.0) Calculated Property
log10WS -7.02 Relay (1.0) Calculated Property
logPoct/wat 9.115 Crippen Calculated Property
Inp [3390.00; 3390.00]   Show Hide
Inp 3390.00 NIST
Inp 3390.00 NIST
Inp 3390.00 NIST
Tboil 737.68 K Relay (1.0) Calculated Property
Tc 1008.73 K Relay (1.0) Calculated Property
Tfus 369.88 K Relay (1.0) Calculated Property
Vc 2.028 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

3«beta»,4«beta»,12«alpha»-trihydroxy-5«beta»-cholanoic acid acid, methyl ester-trimethylsilyl-ether derivative. 3«alpha»,4«beta»,12«alpha»-trihydroxy-5«beta»-cholanoic acid, methyl ester-trimethylsilyl-ether derivative. 2-«beta»,3-«alpha»,7-«alpha»,12-«alpha»-Tetrahydroxy-5-«beta»-cholanoic acid, MeTMS. 3-«alpha»,4-«beta»,7-«alpha»,12-«alpha»-Tetrahydroxy-5-«alpha»-cholanoic acid, MeTMS. 3«beta»,4«beta»,7«alpha»,12«alpha»-tetrahydroxy-5«beta»-cholanoic acid, methyl ester-trimethylsilyl-ether derivative. 3«alpha»,4«beta»,7«alpha»,12«alpha»-tetrahydroxy-5«beta»-cholanoic acid, methyl ester-trimethylsilyl-ether derivative. 5-«beta»-Cholanoic acid, 3-«alpha»,4-«beta»,7-«alpha»,12-«alpha»-tetrahydroxy, methyl ester, TMS. 3-«beta»,6-«alpha»,7-«alpha»,12-«alpha»-Tetrahydroxy-5-«beta»-cholanoic acid, MeTMS. 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. 3«alpha»,6«beta»,7«alpha»,12«alpha»-Tetrahydroxy-5«beta»-cholanoic acid, MeTMS. 5-«alpha»-Cholanoic acid, 3-«alpha»-6-«alpha»,7-«alpha»,12-«alpha»-tetrahydroxy, methyl ester, TMS. 3«alpha»,6«alpha»,7«alpha»,12«alpha»-Tetrahydroxy-5«beta»-cholanoic acid, trimethylsilyl ether-methyl ester. 3«alpha»,6«beta»,7«beta»,12«beta»-Tetrahydroxy-5«beta»-cholanoic acid, methyl ester-trimethylsilyl ether. 3«alpha»,6«alpha»,7«beta»,12«alpha»-Tetrahydroxy-5«beta»-cholanoic acid, methyl ester-trimethylsilyl ether.

Find more compounds similar to 5-«beta»-Cholanoic acid, 3-«alpha»,4-«beta»,12-«alpha»-trihydroxy, methyl ester, TMS.

Sources

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