RI00001226 | Aldosterone,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(=C(CO[Si](C)(C)C)O[Si](C)(C)C)CC[C@@H]12 | TMS | 576.3123 | Standard non polar | 3228.1682 |
RI00001227 | Aldosterone,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](C(=O)CO[Si](C)(C)C)CC[C@@H]12 | TMS | 576.3123 | Standard non polar | 3273.7012 |
RI00001228 | Aldosterone,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](C(=CO[Si](C)(C)C)O[Si](C)(C)C)CC[C@@H]12 | TMS | 576.3123 | Standard non polar | 3169.3494 |
RI00001229 | Aldosterone,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(=C(CO[Si](C)(C)C)O[Si](C)(C)C)CC[C@@H]12 | TMS | 576.3123 | Standard non polar | 3355.2395 |
RI00001230 | Aldosterone,3TMS,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](C(=CO[Si](C)(C)C)O[Si](C)(C)C)CC[C@@H]12 | TMS | 576.3123 | Standard non polar | 3324.1812 |
RI00001231 | Aldosterone,3TMS,isomer#6 | 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(=C(CO)O[Si](C)(C)C)CC[C@@H]12 | TMS | 576.3123 | Standard non polar | 3255.712 |
RI00001232 | Aldosterone,3TMS,isomer#7 | 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](C(=CO)O[Si](C)(C)C)CC[C@@H]12 | TMS | 576.3123 | Standard non polar | 3209.2327 |
RI00001233 | Aldosterone,4TMS,isomer#1 | 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(=C(CO[Si](C)(C)C)O[Si](C)(C)C)CC[C@@H]12 | TMS | 648.3518 | Standard non polar | 3340.5452 |
RI00001234 | Aldosterone,4TMS,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](C(=CO[Si](C)(C)C)O[Si](C)(C)C)CC[C@@H]12 | TMS | 648.3518 | Standard non polar | 3281.7004 |
RI00001235 | Aldosterone,3TBDMS,isomer#1 | JsmolCC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)=C1CC[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@]12C=O | TBDMS | 702.4531 | Standard non polar | 3907.7324 |
RI00001236 | Aldosterone,3TBDMS,isomer#2 | JsmolCC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)[C@H]1CC[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@]12C=O | TBDMS | 702.4531 | Standard non polar | 3826.676 |
RI00001237 | Aldosterone,3TBDMS,isomer#3 | JsmolCC(C)(C)[Si](C)(C)OCC(=O)[C@H]1CC[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@]12C=O | TBDMS | 702.4531 | Standard non polar | 3834.8577 |
RI00001238 | Aldosterone,3TBDMS,isomer#4 | JsmolCC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)=C1CC[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@]12C=O | TBDMS | 702.4531 | Standard non polar | 3910.6653 |
RI00001239 | Aldosterone,3TBDMS,isomer#5 | JsmolCC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)[C@H]1CC[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@]12C=O | TBDMS | 702.4531 | Standard non polar | 3841.2627 |
RI00001240 | Aldosterone,3TBDMS,isomer#6 | JsmolCC(C)(C)[Si](C)(C)OC1=CC[C@@]2(C)C(=C1)CC[C@@H]1[C@@H]2[C@@H](O[Si](C)(C)C(C)(C)C)C[C@]2(C=O)C(=C(CO)O[Si](C)(C)C(C)(C)C)CC[C@@H]12 | TBDMS | 702.4531 | Standard non polar | 3798.336 |
RI00001241 | Aldosterone,3TBDMS,isomer#7 | JsmolCC(C)(C)[Si](C)(C)OC1=CC[C@@]2(C)C(=C1)CC[C@@H]1[C@@H]2[C@@H](O[Si](C)(C)C(C)(C)C)C[C@]2(C=O)[C@@H](C(=CO)O[Si](C)(C)C(C)(C)C)CC[C@@H]12 | TBDMS | 702.4531 | Standard non polar | 3743.237 |
RI00001242 | Aldosterone,4TBDMS,isomer#1 | JsmolCC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)=C1CC[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@]12C=O | TBDMS | 816.5396 | Standard non polar | 4020.591 |
RI00001243 | Aldosterone,4TBDMS,isomer#2 | JsmolCC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)[C@H]1CC[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@]12C=O | TBDMS | 816.5396 | Standard non polar | 3949.3733 |
RI00001244 | Aldosterone | Jsmol[H][C@@]12CC[C@H](C(=O)CO)[C@]1(C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C)C=O | Underivatized | 360.1937 | Standard non polar | 3008.3994 |
RI00001245 | Aldosterone | Jsmol[H][C@@]12CC[C@H](C(=O)CO)[C@]1(C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C)C=O | Underivatized | 360.1937 | Semi standard non polar | 3455.9304 |
RI00001246 | Aldosterone,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(=C(CO[Si](C)(C)C)O[Si](C)(C)C)CC[C@@H]12 | TMS | 576.3123 | Semi standard non polar | 3221.4067 |
RI00001247 | Aldosterone,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](C(=O)CO[Si](C)(C)C)CC[C@@H]12 | TMS | 576.3123 | Semi standard non polar | 3150.251 |
RI00001248 | Aldosterone,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](C(=CO[Si](C)(C)C)O[Si](C)(C)C)CC[C@@H]12 | TMS | 576.3123 | Semi standard non polar | 3248.0652 |
RI00001249 | Aldosterone,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(=C(CO[Si](C)(C)C)O[Si](C)(C)C)CC[C@@H]12 | TMS | 576.3123 | Semi standard non polar | 3221.02 |
RI00001250 | Aldosterone,3TMS,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](C(=CO[Si](C)(C)C)O[Si](C)(C)C)CC[C@@H]12 | TMS | 576.3123 | Semi standard non polar | 3198.8943 |