RI00018276 | 3a,7b,12a-Trihydroxyoxocholanyl-Glycine | Jsmol[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CCC(=O)NCC(O)=O | Underivatized | 465.309 | Standard non polar | 3789.5498 |
RI00018277 | 3a,7b,12a-Trihydroxyoxocholanyl-Glycine | Jsmol[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CCC(=O)NCC(O)=O | Underivatized | 465.309 | Semi standard non polar | 4349.0312 |
RI00018278 | 3a,7b,12a-Trihydroxyoxocholanyl-Glycine,5TMS,isomer#1 | JsmolC[C@H](CCC(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)[C@H]1CC[C@H]2[C@@H]3[C@@H](O[Si](C)(C)C)C[C@@H]4C[C@H](O[Si](C)(C)C)CC[C@]4(C)[C@H]3C[C@H](O[Si](C)(C)C)[C@@]21C | TMS | 825.5067 | Semi standard non polar | 3724.3074 |
RI00018279 | 3a,7b,12a-Trihydroxyoxocholanyl-Glycine,5TMS,isomer#1 | JsmolC[C@H](CCC(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)[C@H]1CC[C@H]2[C@@H]3[C@@H](O[Si](C)(C)C)C[C@@H]4C[C@H](O[Si](C)(C)C)CC[C@]4(C)[C@H]3C[C@H](O[Si](C)(C)C)[C@@]21C | TMS | 825.5067 | Standard polar | 3958.3928 |
RI00018280 | 18-Oxocortisol,1TMS,isomer#1 | JsmolC[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C=O)[C@H]1CC[C@@]2(O[Si](C)(C)C)C(=O)CO | TMS | 448.2281 | Semi standard non polar | 3450.4092 |
RI00018281 | 18-Oxocortisol,1TMS,isomer#2 | JsmolC[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C=O)[C@H]1CC[C@@]2(O)C(=O)CO[Si](C)(C)C | TMS | 448.2281 | Semi standard non polar | 3426.7588 |
RI00018282 | 18-Oxocortisol,1TMS,isomer#3 | JsmolC[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O[Si](C)(C)C)C[C@@]2(C=O)[C@H]1CC[C@@]2(O)C(=O)CO | TMS | 448.2281 | Semi standard non polar | 3352.2131 |
RI00018283 | 18-Oxocortisol,1TMS,isomer#4 | JsmolC[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C=O)[C@H]1CC[C@@]2(O)C(=CO)O[Si](C)(C)C | TMS | 448.2281 | Semi standard non polar | 3362.8403 |
RI00018284 | 18-Oxocortisol,1TMS,isomer#5 | JsmolC[C@]12CC=C(O[Si](C)(C)C)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C=O)[C@H]1CC[C@@]2(O)C(=O)CO | TMS | 448.2281 | Semi standard non polar | 3365.1208 |
RI00018285 | 18-Oxocortisol,2TMS,isomer#1 | JsmolC[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O[Si](C)(C)C)C[C@@]2(C=O)[C@H]1CC[C@@]2(O[Si](C)(C)C)C(=O)CO | TMS | 520.2676 | Semi standard non polar | 3356.8755 |
RI00018286 | 18-Oxocortisol,2TMS,isomer#2 | JsmolC[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C=O)[C@H]1CC[C@@]2(O[Si](C)(C)C)C(=O)CO[Si](C)(C)C | TMS | 520.2676 | Semi standard non polar | 3471.7234 |
RI00018287 | 18-Oxocortisol,2TMS,isomer#3 | JsmolC[C@]12CC=C(O[Si](C)(C)C)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C=O)[C@H]1CC[C@@]2(O[Si](C)(C)C)C(=O)CO | TMS | 520.2676 | Semi standard non polar | 3356.5823 |
RI00018288 | 18-Oxocortisol,2TMS,isomer#4 | JsmolC[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C=O)[C@H]1CC[C@@]2(O[Si](C)(C)C)C(=CO)O[Si](C)(C)C | TMS | 520.2676 | Semi standard non polar | 3381.1003 |
RI00018289 | 18-Oxocortisol,2TMS,isomer#5 | JsmolC[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O[Si](C)(C)C)C[C@@]2(C=O)[C@H]1CC[C@@]2(O)C(=O)CO[Si](C)(C)C | TMS | 520.2676 | Semi standard non polar | 3327.042 |
RI00018290 | 18-Oxocortisol,2TMS,isomer#6 | JsmolC[C@]12CC=C(O[Si](C)(C)C)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C=O)[C@H]1CC[C@@]2(O)C(=O)CO[Si](C)(C)C | TMS | 520.2676 | Semi standard non polar | 3340.455 |
RI00018291 | 18-Oxocortisol,2TMS,isomer#7 | JsmolC[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C=O)[C@H]1CC[C@@]2(O)C(=CO[Si](C)(C)C)O[Si](C)(C)C | TMS | 520.2676 | Semi standard non polar | 3368.4014 |
RI00018292 | 18-Oxocortisol,2TMS,isomer#8 | JsmolC[C@]12CC=C(O[Si](C)(C)C)C=C1CC[C@@H]1[C@@H]2[C@@H](O[Si](C)(C)C)C[C@@]2(C=O)[C@H]1CC[C@@]2(O)C(=O)CO | TMS | 520.2676 | Semi standard non polar | 3238.242 |
RI00018293 | 18-Oxocortisol,2TMS,isomer#9 | JsmolC[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O[Si](C)(C)C)C[C@@]2(C=O)[C@H]1CC[C@@]2(O)C(=CO)O[Si](C)(C)C | TMS | 520.2676 | Semi standard non polar | 3250.6294 |
RI00018294 | 18-Oxocortisol,2TMS,isomer#10 | JsmolC[C@]12CC=C(O[Si](C)(C)C)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C=O)[C@H]1CC[C@@]2(O)C(=CO)O[Si](C)(C)C | TMS | 520.2676 | Semi standard non polar | 3281.132 |
RI00018295 | 18-Oxocortisol,3TMS,isomer#1 | JsmolC[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O[Si](C)(C)C)C[C@@]2(C=O)[C@H]1CC[C@@]2(O[Si](C)(C)C)C(=O)CO[Si](C)(C)C | TMS | 592.3072 | Semi standard non polar | 3384.0667 |
RI00018296 | 18-Oxocortisol,3TMS,isomer#2 | JsmolC[C@]12CC=C(O[Si](C)(C)C)C=C1CC[C@@H]1[C@@H]2[C@@H](O[Si](C)(C)C)C[C@@]2(C=O)[C@H]1CC[C@@]2(O[Si](C)(C)C)C(=O)CO | TMS | 592.3072 | Semi standard non polar | 3255.7493 |
RI00018297 | 18-Oxocortisol,3TMS,isomer#3 | JsmolC[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O[Si](C)(C)C)C[C@@]2(C=O)[C@H]1CC[C@@]2(O[Si](C)(C)C)C(=CO)O[Si](C)(C)C | TMS | 592.3072 | Semi standard non polar | 3265.1577 |
RI00018298 | 18-Oxocortisol,3TMS,isomer#4 | JsmolC[C@]12CC=C(O[Si](C)(C)C)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C=O)[C@H]1CC[C@@]2(O[Si](C)(C)C)C(=O)CO[Si](C)(C)C | TMS | 592.3072 | Semi standard non polar | 3359.1335 |
RI00018299 | 18-Oxocortisol,3TMS,isomer#5 | JsmolC[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C=O)[C@H]1CC[C@@]2(O[Si](C)(C)C)C(=CO[Si](C)(C)C)O[Si](C)(C)C | TMS | 592.3072 | Semi standard non polar | 3389.6003 |
RI00018300 | 18-Oxocortisol,3TMS,isomer#6 | JsmolC[C@]12CC=C(O[Si](C)(C)C)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C=O)[C@H]1CC[C@@]2(O[Si](C)(C)C)C(=CO)O[Si](C)(C)C | TMS | 592.3072 | Semi standard non polar | 3285.981 |