RI00001201 | Aldosterone,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](C(=O)CO)CC[C@@H]12 | TMS | 432.2332 | Semi standard non polar | 3262.2485 |
RI00001202 | Aldosterone,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](C(=O)CO[Si](C)(C)C)CC[C@@H]12 | TMS | 504.2727 | Semi standard non polar | 3249.5466 |
RI00001203 | Aldosterone,2TMS,isomer#2 | JsmolC[C@]12CCC(=O)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 | 504.2727 | Semi standard non polar | 3315.5435 |
RI00001204 | Aldosterone,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](C(=O)CO[Si](C)(C)C)CC[C@@H]12 | TMS | 504.2727 | Semi standard non polar | 3227.4744 |
RI00001205 | Aldosterone,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](C(=CO[Si](C)(C)C)O[Si](C)(C)C)CC[C@@H]12 | TMS | 504.2727 | Semi standard non polar | 3310.9775 |
RI00001206 | Aldosterone,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(=C(CO)O[Si](C)(C)C)CC[C@@H]12 | TMS | 504.2727 | Semi standard non polar | 3212.7412 |
RI00001207 | Aldosterone,2TMS,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@@H](C(=O)CO)CC[C@@H]12 | TMS | 504.2727 | Semi standard non polar | 3165.465 |
RI00001208 | Aldosterone,2TMS,isomer#7 | 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)O[Si](C)(C)C)CC[C@@H]12 | TMS | 504.2727 | Semi standard non polar | 3168.4958 |
RI00001209 | Aldosterone,2TMS,isomer#8 | 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)O[Si](C)(C)C)CC[C@@H]12 | TMS | 504.2727 | Semi standard non polar | 3249.546 |
RI00001210 | Aldosterone,2TMS,isomer#9 | 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)O[Si](C)(C)C)CC[C@@H]12 | TMS | 504.2727 | Semi standard non polar | 3168.289 |
RI00001211 | Aldosterone,1TBDMS,isomer#1 | JsmolCC(C)(C)[Si](C)(C)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C=O | TBDMS | 474.2802 | Semi standard non polar | 3625.0278 |
RI00001212 | Aldosterone,1TBDMS,isomer#2 | JsmolCC(C)(C)[Si](C)(C)O[C@H]1C[C@]2(C=O)[C@@H](C(=O)CO)CC[C@H]2[C@@H]2CCC3=CC(=O)CC[C@]3(C)[C@@H]12 | TBDMS | 474.2802 | Semi standard non polar | 3520.7578 |
RI00001213 | Aldosterone,1TBDMS,isomer#3 | JsmolCC(C)(C)[Si](C)(C)OC(CO)=C1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C=O | TBDMS | 474.2802 | Semi standard non polar | 3607.9348 |
RI00001214 | Aldosterone,1TBDMS,isomer#4 | JsmolCC(C)(C)[Si](C)(C)OC(=CO)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C=O | TBDMS | 474.2802 | Semi standard non polar | 3505.9448 |
RI00001215 | Aldosterone,1TBDMS,isomer#5 | JsmolCC(C)(C)[Si](C)(C)OC1=CC[C@@]2(C)C(=C1)CC[C@@H]1[C@@H]2[C@@H](O)C[C@]2(C=O)[C@@H](C(=O)CO)CC[C@@H]12 | TBDMS | 474.2802 | Semi standard non polar | 3511.7708 |
RI00001216 | Aldosterone,2TBDMS,isomer#1 | JsmolCC(C)(C)[Si](C)(C)OCC(=O)[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 | 588.3666 | Semi standard non polar | 3771.3323 |
RI00001217 | Aldosterone,2TBDMS,isomer#2 | 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)C[C@]12C=O | TBDMS | 588.3666 | Semi standard non polar | 3856.626 |
RI00001218 | Aldosterone,2TBDMS,isomer#3 | 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)C[C@]12C=O | TBDMS | 588.3666 | Semi standard non polar | 3800.9697 |
RI00001219 | Aldosterone,2TBDMS,isomer#4 | 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)C[C@]12C=O | TBDMS | 588.3666 | Semi standard non polar | 3734.7056 |
RI00001220 | Aldosterone,2TBDMS,isomer#5 | JsmolCC(C)(C)[Si](C)(C)OC(CO)=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 | 588.3666 | Semi standard non polar | 3728.2554 |
RI00001221 | Aldosterone,2TBDMS,isomer#6 | JsmolCC(C)(C)[Si](C)(C)OC(=CO)[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 | 588.3666 | Semi standard non polar | 3638.4968 |
RI00001222 | Aldosterone,2TBDMS,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(=O)CO)CC[C@@H]12 | TBDMS | 588.3666 | Semi standard non polar | 3614.3894 |
RI00001223 | Aldosterone,2TBDMS,isomer#8 | JsmolCC(C)(C)[Si](C)(C)OC1=CC[C@@]2(C)C(=C1)CC[C@@H]1[C@@H]2[C@@H](O)C[C@]2(C=O)C(=C(CO)O[Si](C)(C)C(C)(C)C)CC[C@@H]12 | TBDMS | 588.3666 | Semi standard non polar | 3744.952 |
RI00001224 | Aldosterone,2TBDMS,isomer#9 | JsmolCC(C)(C)[Si](C)(C)OC1=CC[C@@]2(C)C(=C1)CC[C@@H]1[C@@H]2[C@@H](O)C[C@]2(C=O)[C@@H](C(=CO)O[Si](C)(C)C(C)(C)C)CC[C@@H]12 | TBDMS | 588.3666 | Semi standard non polar | 3637.0474 |
RI00001225 | 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 polar | 3586.3 |