For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

3.alpha.,12.alpha.-bis(trimethylsilyl)deoxycholic acid-pentachlorophenyl ester

View entire compound with spectra: 1 MS (GC)

3.alpha.,12.alpha.-bis(trimethylsilyl)deoxycholic acid-pentachlorophenyl ester
SpectraBase Compound ID BJM2SsEl2o5
InChI InChI=1S/C36H55Cl5O4Si2/c1-20(10-15-28(42)43-34-32(40)30(38)29(37)31(39)33(34)41)24-13-14-25-23-12-11-21-18-22(44-46(4,5)6)16-17-35(21,2)26(23)19-27(36(24,25)3)45-47(7,8)9/h20-27H,10-19H2,1-9H3/t20-,21-,22-,23+,24-,25+,26+,27+,35+,36-/m1/s1
InChIKey SHRKOHQEWFTVTH-ICGGRRSYSA-N
Mol Weight 785.3 g/mol
Molecular Formula C36H55Cl5O4Si2
Exact Mass 782.208152 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 5KyQFBB7s7
Name 3.alpha.,12.alpha.-bis(trimethylsilyl)deoxycholic acid-pentachlorophenyl ester
Alternate Name(s) 2,3,4,5,6-pentachlorophenyl (3alpha,5beta,12alpha)-3,12-bis[(trimethylsilyl)oxy]cholan-24-oate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H55Cl5O4Si2
InChI InChI=1S/C36H55Cl5O4Si2/c1-20(10-15-28(42)43-34-32(40)30(38)29(37)31(39)33(34)41)24-13-14-25-23-12-11-21-18-22(44-46(4,5)6)16-17-35(21,2)26(23)19-27(36(24,25)3)45-47(7,8)9/h20-27H,10-19H2,1-9H3/t20-,21-,22-,23+,24-,25+,26+,27+,35+,36-/m1/s1
InChIKey SHRKOHQEWFTVTH-ICGGRRSYSA-N
Molecular Weight 785.267 g/mol
SMILES c1(c(c(Cl)c(c(c1Cl)Cl)Cl)Cl)OC(=O)CC[C@]([C@@]1([C@@]2([C@@]([C@@]3(CC[C@]4([C@@]([C@]3(C[C@@]2(O[Si](C)(C)C)[H])[H])(CC[C@@](O[Si](C)(C)C)(C4)[H])C)[H])[H])([H])CC1)C)[H])(C)[H]
SPLASH splash10-0a4i-0090020000-e91dd38ada1aa39c0b7c
Source of Spectrum JC-562-705-0
Wiley ID 1416923