Chemical Properties of 2-«beta»,3-«alpha»,7-«alpha»,12-«alpha»-Tetrahydroxy-5-«beta»-cholanoic acid, MeTMS

2-«beta»,3-«alpha»,7-«alpha»,12-«alpha»-Tetrahydroxy-5-«beta»-cholanoic acid, MeTMS

InChI
InChI=1S/C37H74O6Si4/c1-25(17-20-34(38)39-4)27-18-19-28-35-29(23-33(37(27,28)3)43-47(14,15)16)36(2)24-32(42-46(11,12)13)30(40-44(5,6)7)21-26(36)22-31(35)41-45(8,9)10/h25-33,35H,17-24H2,1-16H3/t25-,26+,27-,28?,29?,30+,31-,32+,33+,35?,36+,37-/m0/s1
InChI Key
MOHUSTFELXDKJF-LBHIDZRZSA-N
Formula
C37H74O6Si4
SMILES
COC(=O)CCC(C)C1CCC2C3C(O[Si](C)(C)C)CC4CC(O[Si](C)(C)C)C(O[Si](C)(C)C)CC4(C)C3CC(O[Si](C)(C)C)C12C
Molecular Weight1
727.32
Other Names
  • 5-«beta»-Cholanoic acid, 2-«beta»,3-«alpha»,7-«alpha»,12-«alpha»-tetrahydroxy, methyl ester, TMS
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Physical Properties

Property Value Unit Source
ω 0.9318 Relay (1.0) Calculated Property
ΔfG° -280.91 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -1737.99 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 133.39 kJ/mol Relay (1.0) Calculated Property
IE 8.81 eV Relay (1.0) Calculated Property
log10WS -7.21 Relay (1.0) Calculated Property
logPoct/wat 9.945 Crippen Calculated Property
Inp [3440.00; 3440.00]   Show Hide
Inp 3440.00 NIST
Inp 3440.00 NIST
Inp 3440.00 NIST
Tboil 758.54 K Relay (1.0) Calculated Property
Tc 1030.14 K Relay (1.0) Calculated Property
Tfus 370.38 K Relay (1.0) Calculated Property
Vc 2.322 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. 5-«beta»-Cholanoic acid, 3-«alpha»,4-«beta»,12-«alpha»-trihydroxy, methyl ester, TMS. 5-«beta»-Cholanoic acid, 3-«alpha»,4-«beta»,7-«alpha»,12-«alpha»-tetrahydroxy, methyl ester, TMS. 3-«alpha»,4-«beta»,7-«alpha»,12-«alpha»-Tetrahydroxy-5-«alpha»-cholanoic acid, MeTMS. 3«alpha»,4«beta»,7«alpha»,12«alpha»-tetrahydroxy-5«beta»-cholanoic acid, methyl ester-trimethylsilyl-ether derivative. 3«beta»,4«beta»,7«alpha»,12«alpha»-tetrahydroxy-5«beta»-cholanoic acid, methyl ester-trimethylsilyl-ether derivative. 3«alpha»,6«beta»,7«beta»,12«alpha»-Tetrahydroxy-5«beta»-cholanoic acid, MeTMS. 3«alpha»,6«beta»,7«beta»,12«beta»-Tetrahydroxy-5«beta»-cholanoic acid, methyl ester-trimethylsilyl ether. 3«alpha»,6«beta»,7«alpha»,12«alpha»-Tetrahydroxy-5«beta»-cholanoic acid, MeTMS. 3«alpha»,6«alpha»,7«alpha»,12«alpha»-Tetrahydroxy-5«beta»-cholanic acid, methyl ester, TMS. 3«alpha»,6«alpha»,7«beta»,12«alpha»-Tetrahydroxy-5«beta»-cholanoic acid, methyl ester-trimethylsilyl ether. 3«alpha»,6«beta»,7«alpha»,12«beta»-Tetrahydroxy-5«beta»-cholanoic acid, MeTMS. 3«alpha»,6«alpha»,7«alpha»,12«alpha»-Tetrahydroxy-5«beta»-cholanoic acid, trimethylsilyl ether-methyl ester. 5-«alpha»-Cholanoic acid, 3-«alpha»-6-«alpha»,7-«alpha»,12-«alpha»-tetrahydroxy, methyl ester, TMS.

Find more compounds similar to 2-«beta»,3-«alpha»,7-«alpha»,12-«alpha»-Tetrahydroxy-5-«beta»-cholanoic acid, MeTMS.

Sources

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