RI00003976 | Cortisol,3TBDMS,isomer#7 | JsmolCC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@]21C | TBDMS | 704.4688 | Semi standard non polar | 3848.7542 |
RI00003977 | Cortisol,3TBDMS,isomer#8 | JsmolCC(C)(C)[Si](C)(C)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(O[Si](C)(C)C(C)(C)C)=CC[C@]4(C)[C@H]3[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@]21C | TBDMS | 704.4688 | Semi standard non polar | 3779.3413 |
RI00003978 | Cortisol,3TBDMS,isomer#9 | JsmolCC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(O[Si](C)(C)C(C)(C)C)=CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C | TBDMS | 704.4688 | Semi standard non polar | 3871.2964 |
RI00003979 | Cortisol,3TBDMS,isomer#10 | JsmolCC(C)(C)[Si](C)(C)OC1=CC[C@@]2(C)C(=C1)CC[C@H]1[C@@H]3CC[C@](O)(C(=CO)O[Si](C)(C)C(C)(C)C)[C@@]3(C)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]12 | TBDMS | 704.4688 | Semi standard non polar | 3739.3706 |
RI00003980 | Cortisol | Jsmol[H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C | Underivatized | 362.2093 | Standard polar | 3362.6167 |
RI00003981 | Cortisol,4TMS,isomer#1 | JsmolC[C@]12C[C@H](O[Si](C)(C)C)[C@H]3[C@@H](CCC4=CC(O[Si](C)(C)C)=CC[C@@]43C)[C@@H]1CC[C@]2(O[Si](C)(C)C)C(=O)CO[Si](C)(C)C | TMS | 650.3674 | Standard non polar | 3195.8813 |
RI00003982 | Cortisol,4TMS,isomer#2 | JsmolC[C@]12C[C@H](O[Si](C)(C)C)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O[Si](C)(C)C)C(=CO[Si](C)(C)C)O[Si](C)(C)C | TMS | 650.3674 | Standard non polar | 3152.9675 |
RI00003983 | Cortisol,4TMS,isomer#3 | JsmolC[C@]12C[C@H](O[Si](C)(C)C)[C@H]3[C@@H](CCC4=CC(O[Si](C)(C)C)=CC[C@@]43C)[C@@H]1CC[C@]2(O[Si](C)(C)C)C(=CO)O[Si](C)(C)C | TMS | 650.3674 | Standard non polar | 3138.6711 |
RI00003984 | Cortisol,4TMS,isomer#4 | JsmolC[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(O[Si](C)(C)C)=CC[C@@]43C)[C@@H]1CC[C@]2(O[Si](C)(C)C)C(=CO[Si](C)(C)C)O[Si](C)(C)C | TMS | 650.3674 | Standard non polar | 3275.485 |
RI00003985 | Cortisol,4TMS,isomer#5 | JsmolC[C@]12C[C@H](O[Si](C)(C)C)[C@H]3[C@@H](CCC4=CC(O[Si](C)(C)C)=CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=CO[Si](C)(C)C)O[Si](C)(C)C | TMS | 650.3674 | Standard non polar | 3166.511 |
RI00003986 | Cortisol,5TMS,isomer#1 | JsmolC[C@]12C[C@H](O[Si](C)(C)C)[C@H]3[C@@H](CCC4=CC(O[Si](C)(C)C)=CC[C@@]43C)[C@@H]1CC[C@]2(O[Si](C)(C)C)C(=CO[Si](C)(C)C)O[Si](C)(C)C | TMS | 722.407 | Standard non polar | 3182.7654 |
RI00003987 | Cortisol,4TBDMS,isomer#1 | JsmolCC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)[C@@]1(O[Si](C)(C)C(C)(C)C)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@]21C | TBDMS | 818.5552 | Standard non polar | 3966.9836 |
RI00003988 | Cortisol,4TBDMS,isomer#2 | JsmolCC(C)(C)[Si](C)(C)OCC(=O)[C@@]1(O[Si](C)(C)C(C)(C)C)CC[C@H]2[C@@H]3CCC4=CC(O[Si](C)(C)C(C)(C)C)=CC[C@]4(C)[C@H]3[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@]21C | TBDMS | 818.5552 | Standard non polar | 3977.8635 |
RI00003989 | Cortisol,4TBDMS,isomer#3 | JsmolCC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)[C@@]1(O[Si](C)(C)C(C)(C)C)CC[C@H]2[C@@H]3CCC4=CC(O[Si](C)(C)C(C)(C)C)=CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C | TBDMS | 818.5552 | Standard non polar | 3994.8516 |
RI00003990 | Cortisol,4TBDMS,isomer#4 | JsmolCC(C)(C)[Si](C)(C)OC1=CC[C@@]2(C)C(=C1)CC[C@H]1[C@@H]3CC[C@](O[Si](C)(C)C(C)(C)C)(C(=CO)O[Si](C)(C)C(C)(C)C)[C@@]3(C)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]12 | TBDMS | 818.5552 | Standard non polar | 3891.674 |
RI00003991 | Cortisol,4TBDMS,isomer#5 | JsmolCC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(O[Si](C)(C)C(C)(C)C)=CC[C@]4(C)[C@H]3[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@]21C | TBDMS | 818.5552 | Standard non polar | 3913.5723 |
RI00003992 | Cortisol | Jsmol[H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C | Underivatized | 362.2093 | Standard non polar | 3038.34 |
RI00003993 | Cortisol | Jsmol[H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C | Underivatized | 362.2093 | Semi standard non polar | 3394.4666 |
RI00003994 | Cortisol,4TMS,isomer#1 | JsmolC[C@]12C[C@H](O[Si](C)(C)C)[C@H]3[C@@H](CCC4=CC(O[Si](C)(C)C)=CC[C@@]43C)[C@@H]1CC[C@]2(O[Si](C)(C)C)C(=O)CO[Si](C)(C)C | TMS | 650.3674 | Semi standard non polar | 3180.5486 |
RI00003995 | Cortisol,4TMS,isomer#2 | JsmolC[C@]12C[C@H](O[Si](C)(C)C)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O[Si](C)(C)C)C(=CO[Si](C)(C)C)O[Si](C)(C)C | TMS | 650.3674 | Semi standard non polar | 3216.9036 |
RI00003996 | Cortisol,4TMS,isomer#3 | JsmolC[C@]12C[C@H](O[Si](C)(C)C)[C@H]3[C@@H](CCC4=CC(O[Si](C)(C)C)=CC[C@@]43C)[C@@H]1CC[C@]2(O[Si](C)(C)C)C(=CO)O[Si](C)(C)C | TMS | 650.3674 | Semi standard non polar | 3105.0366 |
RI00003997 | Cortisol,4TMS,isomer#4 | JsmolC[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(O[Si](C)(C)C)=CC[C@@]43C)[C@@H]1CC[C@]2(O[Si](C)(C)C)C(=CO[Si](C)(C)C)O[Si](C)(C)C | TMS | 650.3674 | Semi standard non polar | 3186.3362 |
RI00003998 | Cortisol,4TMS,isomer#5 | JsmolC[C@]12C[C@H](O[Si](C)(C)C)[C@H]3[C@@H](CCC4=CC(O[Si](C)(C)C)=CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=CO[Si](C)(C)C)O[Si](C)(C)C | TMS | 650.3674 | Semi standard non polar | 3061.8613 |
RI00003999 | Cortisol,5TMS,isomer#1 | JsmolC[C@]12C[C@H](O[Si](C)(C)C)[C@H]3[C@@H](CCC4=CC(O[Si](C)(C)C)=CC[C@@]43C)[C@@H]1CC[C@]2(O[Si](C)(C)C)C(=CO[Si](C)(C)C)O[Si](C)(C)C | TMS | 722.407 | Semi standard non polar | 3104.005 |
RI00004000 | Cortisol,4TBDMS,isomer#1 | JsmolCC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)[C@@]1(O[Si](C)(C)C(C)(C)C)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@]21C | TBDMS | 818.5552 | Semi standard non polar | 4082.29 |