RI00000176 | Cortexolone,1TMS,isomer#4 | JsmolC[C@]12CC[C@H]3[C@@H](CCC4=CC(O[Si](C)(C)C)=CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO | TMS | 418.2539 | Semi standard non polar | 3146.171 |
RI00000177 | Cortexolone,2TMS,isomer#1 | JsmolC[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O[Si](C)(C)C)C(=O)CO[Si](C)(C)C | TMS | 490.2935 | Semi standard non polar | 3319.2405 |
RI00000178 | Cortexolone,2TMS,isomer#2 | JsmolC[C@]12CC[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 | TMS | 490.2935 | Semi standard non polar | 3191.6025 |
RI00000179 | Cortexolone,2TMS,isomer#3 | JsmolC[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O[Si](C)(C)C)C(=CO)O[Si](C)(C)C | TMS | 490.2935 | Semi standard non polar | 3226.8357 |
RI00000180 | Cortexolone,2TMS,isomer#4 | JsmolC[C@]12CC[C@H]3[C@@H](CCC4=CC(O[Si](C)(C)C)=CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO[Si](C)(C)C | TMS | 490.2935 | Semi standard non polar | 3169.0806 |
RI00000181 | Cortexolone,2TMS,isomer#5 | JsmolC[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=CO[Si](C)(C)C)O[Si](C)(C)C | TMS | 490.2935 | Semi standard non polar | 3231.9995 |
RI00000182 | Cortexolone,2TMS,isomer#6 | JsmolC[C@]12CC[C@H]3[C@@H](CCC4=CC(O[Si](C)(C)C)=CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=CO)O[Si](C)(C)C | TMS | 490.2935 | Semi standard non polar | 3085.5447 |
RI00000183 | Cortexolone,1TBDMS,isomer#1 | JsmolCC(C)(C)[Si](C)(C)O[C@]1(C(=O)CO)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C | TBDMS | 460.3009 | Semi standard non polar | 3511.9475 |
RI00000184 | Cortexolone,1TBDMS,isomer#2 | JsmolCC(C)(C)[Si](C)(C)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C | TBDMS | 460.3009 | Semi standard non polar | 3513.9854 |
RI00000185 | Cortexolone,1TBDMS,isomer#3 | JsmolCC(C)(C)[Si](C)(C)OC(=CO)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C | TBDMS | 460.3009 | Semi standard non polar | 3408.937 |
RI00000186 | Cortexolone,1TBDMS,isomer#4 | JsmolCC(C)(C)[Si](C)(C)OC1=CC[C@@]2(C)C(=C1)CC[C@H]1[C@@H]3CC[C@](O)(C(=O)CO)[C@@]3(C)CC[C@@H]12 | TBDMS | 460.3009 | Semi standard non polar | 3429.4106 |
RI00000187 | Cortexolone,2TBDMS,isomer#1 | 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)CC[C@]4(C)[C@H]3CC[C@@]21C | TBDMS | 574.3874 | Semi standard non polar | 3822.685 |
RI00000188 | Cortexolone,2TBDMS,isomer#2 | JsmolCC(C)(C)[Si](C)(C)OC(=CO)[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]3CC[C@@]21C | TBDMS | 574.3874 | Semi standard non polar | 3735.2642 |
RI00000189 | Cortexolone,2TBDMS,isomer#3 | 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(=O)CO)[C@@]3(C)CC[C@@H]12 | TBDMS | 574.3874 | Semi standard non polar | 3702.4802 |
RI00000190 | Cortexolone,2TBDMS,isomer#4 | 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]3CC[C@@]21C | TBDMS | 574.3874 | Semi standard non polar | 3734.4734 |
RI00000191 | Cortexolone,2TBDMS,isomer#5 | 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]3CC[C@@]21C | TBDMS | 574.3874 | Semi standard non polar | 3695.581 |
RI00000192 | Cortexolone,2TBDMS,isomer#6 | 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)CC[C@@H]12 | TBDMS | 574.3874 | Semi standard non polar | 3580.2217 |
RI00000193 | Cortexolone | Jsmol[H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C | Underivatized | 346.2144 | Standard polar | 3199.8281 |
RI00000194 | Cortexolone,3TMS,isomer#1 | JsmolC[C@]12CC[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 | 562.333 | Standard non polar | 3141.0063 |
RI00000195 | Cortexolone,3TMS,isomer#2 | JsmolC[C@]12CC[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 | 562.333 | Standard non polar | 3032.1252 |
RI00000196 | Cortexolone,3TMS,isomer#3 | JsmolC[C@]12CC[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 | 562.333 | Standard non polar | 3061.3442 |
RI00000197 | Cortexolone,3TMS,isomer#4 | JsmolC[C@]12CC[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 | 562.333 | Standard non polar | 3111.2966 |
RI00000198 | Cortexolone,4TMS,isomer#1 | JsmolC[C@]12CC[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 | 634.3725 | Standard non polar | 3134.5015 |
RI00000199 | Cortexolone,3TBDMS,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]3CC[C@@]21C | TBDMS | 688.4738 | Standard non polar | 3703.8828 |
RI00000200 | Cortexolone,3TBDMS,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]3CC[C@@]21C | TBDMS | 688.4738 | Standard non polar | 3795.867 |