| SpectraBase Spectrum ID |
HZeef9ySv4K |
| Name |
3.alpha.-(trimethylsilyl)lithocholic acid-pentachlorophenyl ester |
| Alternate Name(s) |
2,3,4,5,6-pentachlorophenyl (3alpha)-3-hydroxy-3-(trimethylsilyl)cholan-24-oate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C33H47Cl5O3Si |
| InChI |
InChI=1S/C33H47Cl5O3Si/c1-18(7-12-24(39)41-30-28(37)26(35)25(34)27(36)29(30)38)21-10-11-22-20-9-8-19-17-33(40,42(4,5)6)16-15-31(19,2)23(20)13-14-32(21,22)3/h18-23,40H,7-17H2,1-6H3/t18-,19?,20+,21-,22+,23+,31+,32-,33-/m1/s1 |
| InChIKey |
NMJKWDWTWTWMRN-SVQGOSHBSA-N |
| Molecular Weight |
697.086 g/mol |
| SMILES |
O[C@]1(CC[C@@]2([C@]3(CC[C@@]4([C@@]([C@@](CCC(Oc5c(c(Cl)c(c(c5Cl)Cl)Cl)Cl)=O)(C)[H])(CC[C@]4([C@@]3(CCC2C1)[H])[H])[H])C)[H])C)[Si](C)(C)C |
| SPLASH |
splash10-001i-0920000000-20481f573c4b947d86d7 |
| Source of Spectrum |
JC-562-705-0 |
| Wiley ID |
1414852 |
