RI00020301 | 3a,6b,7b-Trihydroxy-5b-cholanoic acid,4TBDMS,isomer#1 | JsmolC[C@H](CCC(=O)O[Si](C)(C)C(C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]3O[Si](C)(C)C(C)(C)C | TBDMS | 864.6335 | Semi standard non polar | 4116.0044 |
RI00020302 | 3a,6b,7b-Trihydroxy-5b-cholanoic acid | Jsmol[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@@H](O)[C@@H](O)[C@]2([H])C[C@H](O)CC[C@]12C | Underivatized | 408.2876 | Standard polar | 3746.185 |
RI00020303 | 3a,6b,7b-Trihydroxy-5b-cholanoic acid | Jsmol[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@@H](O)[C@@H](O)[C@]2([H])C[C@H](O)CC[C@]12C | Underivatized | 408.2876 | Standard non polar | 3502.6226 |
RI00020304 | 3a,6b,7b-Trihydroxy-5b-cholanoic acid | Jsmol[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@@H](O)[C@@H](O)[C@]2([H])C[C@H](O)CC[C@]12C | Underivatized | 408.2876 | Semi standard non polar | 3627.112 |
RI00020305 | 17-Hydroxypregnenolone sulfate,1TMS,isomer#1 | JsmolCC(=O)[C@@]1(O[Si](C)(C)C)CC[C@H]2[C@@H]3CC=C4CC(OS(=O)(=O)O)CC[C@]4(C)[C@H]3CC[C@@]21C | TMS | 484.2315 | Semi standard non polar | 3452.1323 |
RI00020306 | 17-Hydroxypregnenolone sulfate,1TMS,isomer#2 | JsmolCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CC=C4CC(OS(=O)(=O)O[Si](C)(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C | TMS | 484.2315 | Semi standard non polar | 3429.9158 |
RI00020307 | 17-Hydroxypregnenolone sulfate,1TMS,isomer#3 | JsmolC=C(O[Si](C)(C)C)[C@@]1(O)CC[C@H]2[C@@H]3CC=C4CC(OS(=O)(=O)O)CC[C@]4(C)[C@H]3CC[C@@]21C | TMS | 484.2315 | Semi standard non polar | 3324.176 |
RI00020308 | 17-Hydroxypregnenolone sulfate,1TBDMS,isomer#1 | JsmolCC(=O)[C@@]1(O[Si](C)(C)C(C)(C)C)CC[C@H]2[C@@H]3CC=C4CC(OS(=O)(=O)O)CC[C@]4(C)[C@H]3CC[C@@]21C | TBDMS | 526.2784 | Semi standard non polar | 3701.0444 |
RI00020309 | 17-Hydroxypregnenolone sulfate,1TBDMS,isomer#2 | JsmolCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CC=C4CC(OS(=O)(=O)O[Si](C)(C)C(C)(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C | TBDMS | 526.2784 | Semi standard non polar | 3649.0835 |
RI00020310 | 17-Hydroxypregnenolone sulfate,1TBDMS,isomer#3 | JsmolC=C(O[Si](C)(C)C(C)(C)C)[C@@]1(O)CC[C@H]2[C@@H]3CC=C4CC(OS(=O)(=O)O)CC[C@]4(C)[C@H]3CC[C@@]21C | TBDMS | 526.2784 | Semi standard non polar | 3589.2742 |
RI00020311 | 17-Hydroxypregnenolone sulfate | Jsmol[H][C@@]12CC[C@](O)(C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2CC(CC[C@]12C)OS(O)(=O)=O | Underivatized | 412.192 | Standard polar | 3908.269 |
RI00020312 | 17-Hydroxypregnenolone sulfate,2TMS,isomer#1 | JsmolCC(=O)[C@@]1(O[Si](C)(C)C)CC[C@H]2[C@@H]3CC=C4CC(OS(=O)(=O)O[Si](C)(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C | TMS | 556.271 | Standard non polar | 3436.092 |
RI00020313 | 17-Hydroxypregnenolone sulfate,2TMS,isomer#2 | JsmolC=C(O[Si](C)(C)C)[C@@]1(O[Si](C)(C)C)CC[C@H]2[C@@H]3CC=C4CC(OS(=O)(=O)O)CC[C@]4(C)[C@H]3CC[C@@]21C | TMS | 556.271 | Standard non polar | 3377.236 |
RI00020314 | 17-Hydroxypregnenolone sulfate,2TMS,isomer#3 | JsmolC=C(O[Si](C)(C)C)[C@@]1(O)CC[C@H]2[C@@H]3CC=C4CC(OS(=O)(=O)O[Si](C)(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C | TMS | 556.271 | Standard non polar | 3429.6113 |
RI00020315 | 17-Hydroxypregnenolone sulfate,3TMS,isomer#1 | JsmolC=C(O[Si](C)(C)C)[C@@]1(O[Si](C)(C)C)CC[C@H]2[C@@H]3CC=C4CC(OS(=O)(=O)O[Si](C)(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C | TMS | 628.3105 | Standard non polar | 3570.436 |
RI00020316 | 17-Hydroxypregnenolone sulfate,2TBDMS,isomer#1 | JsmolCC(=O)[C@@]1(O[Si](C)(C)C(C)(C)C)CC[C@H]2[C@@H]3CC=C4CC(OS(=O)(=O)O[Si](C)(C)C(C)(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C | TBDMS | 640.3649 | Standard non polar | 4023.543 |
RI00020317 | 17-Hydroxypregnenolone sulfate,2TBDMS,isomer#2 | JsmolC=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]3CC=C4CC(OS(=O)(=O)O)CC[C@]4(C)[C@H]3CC[C@@]21C | TBDMS | 640.3649 | Standard non polar | 3964.6982 |
RI00020318 | 17-Hydroxypregnenolone sulfate,2TBDMS,isomer#3 | JsmolC=C(O[Si](C)(C)C(C)(C)C)[C@@]1(O)CC[C@H]2[C@@H]3CC=C4CC(OS(=O)(=O)O[Si](C)(C)C(C)(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C | TBDMS | 640.3649 | Standard non polar | 4004.7747 |
RI00020319 | 17-Hydroxypregnenolone sulfate,3TBDMS,isomer#1 | JsmolC=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]3CC=C4CC(OS(=O)(=O)O[Si](C)(C)C(C)(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C | TBDMS | 754.4514 | Standard non polar | 4400.9697 |
RI00020320 | 17-Hydroxypregnenolone sulfate | Jsmol[H][C@@]12CC[C@](O)(C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2CC(CC[C@]12C)OS(O)(=O)=O | Underivatized | 412.192 | Standard non polar | 3050.9417 |
RI00020321 | 17-Hydroxypregnenolone sulfate | Jsmol[H][C@@]12CC[C@](O)(C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2CC(CC[C@]12C)OS(O)(=O)=O | Underivatized | 412.192 | Semi standard non polar | 3401.2214 |
RI00020322 | 17-Hydroxypregnenolone sulfate,2TMS,isomer#1 | JsmolCC(=O)[C@@]1(O[Si](C)(C)C)CC[C@H]2[C@@H]3CC=C4CC(OS(=O)(=O)O[Si](C)(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C | TMS | 556.271 | Semi standard non polar | 3462.8198 |
RI00020323 | 17-Hydroxypregnenolone sulfate,2TMS,isomer#2 | JsmolC=C(O[Si](C)(C)C)[C@@]1(O[Si](C)(C)C)CC[C@H]2[C@@H]3CC=C4CC(OS(=O)(=O)O)CC[C@]4(C)[C@H]3CC[C@@]21C | TMS | 556.271 | Semi standard non polar | 3386.6636 |
RI00020324 | 17-Hydroxypregnenolone sulfate,2TMS,isomer#3 | JsmolC=C(O[Si](C)(C)C)[C@@]1(O)CC[C@H]2[C@@H]3CC=C4CC(OS(=O)(=O)O[Si](C)(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C | TMS | 556.271 | Semi standard non polar | 3346.994 |
RI00020325 | 17-Hydroxypregnenolone sulfate,3TMS,isomer#1 | JsmolC=C(O[Si](C)(C)C)[C@@]1(O[Si](C)(C)C)CC[C@H]2[C@@H]3CC=C4CC(OS(=O)(=O)O[Si](C)(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C | TMS | 628.3105 | Semi standard non polar | 3425.5007 |