| SpectraBase Spectrum ID |
CzTr1CxfWXk |
| Name |
3.alpha.,7.alpha.-bis(trimethylsilyl)ursodeoxycholic acid-pentachlorophenyl ester |
| Alternate Name(s) |
2,3,4,5,6-pentachlorophenyl (3alpha,7beta)-3,7-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(10-13-27(42)43-34-32(40)30(38)29(37)31(39)33(34)41)23-11-12-24-28-25(15-17-36(23,24)3)35(2)16-14-22(44-46(4,5)6)18-21(35)19-26(28)45-47(7,8)9/h20-26,28H,10-19H2,1-9H3/t20-,21?,22-,23-,24+,25+,26+,28+,35+,36-/m1/s1 |
| InChIKey |
LJCKXZRAIYPGAM-RVXVOUMESA-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([C@](CC4[C@@]([C@]3(CC2)[H])(CC[C@@](O[Si](C)(C)C)(C4)[H])C)(O[Si](C)(C)C)[H])[H])([H])CC1)C)[H])(C)[H] |
| SPLASH |
splash10-004u-0973600000-563d5245cafc7c1d246c |
| Source of Spectrum |
JC-562-705-0 |
| Wiley ID |
1416925 |
