Methyl cholate, 3TMS derivative
- Formula: C34H66O5Si3
- Molecular weight: 639.1413
- IUPAC Standard InChI: InChI=1S/C34H66O5Si3/c1-23(14-17-31(35)36-4)26-15-16-27-32-28(22-30(34(26,27)3)39-42(11,12)13)33(2)19-18-25(37-40(5,6)7)20-24(33)21-29(32)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
- IUPAC Standard InChIKey: DQKFOBXAKZGIPX-VBGMGSDVSA-N
- CAS Registry Number: 6818-43-5
- Chemical structure:
This structure is also available as a 2d Mol file - Species with the same structure:
- Stereoisomers:
- 3α,7α,12β-Trihydroxy-5β-cholanoic acid, methyl ester-trimethylsilyl ether
- 3α,7β,12β-Trihydroxy-5β-cholanoic acid, methyl ester-trimethylsilyl ether
- 3α,7β,12α-Trihydroxy-5β-cholanoic acid, MeTMS
- 3α,7β,12α-Trihydroxy-5β-cholanoic acid, methyl ester-trimethylsilyl ether
- 3α,12α-Dihydroxy-5β-cholanoic acid, methyl ester-trimethylsilyl ether
- Methyl 3-β,7-α,12-α-trihydroxy-5-βcholanoate, TMS
- 5α-cholanoate,3α,7α,12α-trihydroxy, methyl ester-trimethylsilyl ether
- 5β-cholanoate,3α,7α,12α-trihydroxy, methyl ester-trimethylsilyl ether
- allo-Cholanic acid, 3α,7α,12α-trihydroxy, Me-TMS
- allo-Cholanic acid, 3α,7α,12β-trihydroxy, Me-TMS
- allo-Cholanic acid, 3α,7β,12α-trihydroxy, Me-TMS
- allo-Cholanic acid, 3α,7β,12β-trihydroxy, Me-TMS
- allo-Cholanic acid, 3β,7α,12α-trihydroxy, Me-TMS
- allo-Cholanic acid, 3β,7α,12β-trihydroxy, Me-TMS
- allo-Cholanic acid, 3β,7β,12α-trihydroxy, Me-TMS
- allo-Cholanic acid, 3β,7β,12β-trihydroxy, Me-TMS
- Cholanic acid, 3α,7α,12β-trihydroxy, Me-TMS
- Cholanic acid, 3α,7β,12α-trihydroxy, Me-TMS
- Cholanic acid, 3α,7β,12β-trihydroxy, Me-TMS
- Cholanic acid, 3β,7α,12α-trihydroxy, Me-TMS
- Cholanic acid, 3β,7α,12β-trihydroxy, Me-TMS
- Cholanic acid, 3β,7β,12α-trihydroxy, Me-TMS
- Cholanic acid, 3β,7β,12β-trihydroxy, Me-TMS
- Other names: Cholan-24-oic acid, 3,7,12-tris[(trimethylsilyl)oxy]-, methyl ester, (3α,5β,7α,12α)-; 5β-Cholan-24-oic acid, 3α,7α,12α-tris(trimethylsiloxy)-, methyl ester; Methyl 3,7,12-tris[(trimethylsilyl)oxy]cholan-24-oate, (3α,5β,7α,12α)-; 3α,7α,12α-Trihydroxy-5β-cholanoic acid, methyl ester-trimethylsilyl ether; 3-α,7-α,12-α-Trihydroxy-5-β-cholanoic acid, MeTMS; 5-β-Cholanoic acid, 3-α-7-α12-α-trihydroxy, methyl ester, TMS; Cholic acid, methyl ester, TMS; Cholic acid, trimethylsilyl ether-methyl ester; 3α,7α,12α-trihydroxy-5β-cholestanoic acid, trimethylsilyl ether-methyl ester
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- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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