RI01722301 | Clascoterone,3TMS,isomer#1 | JsmolCCC(=O)O[C@]1(C(=CO[Si](C)(C)C)O[Si](C)(C)C)CC[C@H]2[C@@H]3CCC4=CC(O[Si](C)(C)C)=CC[C@]4(C)[C@H]3CC[C@@]21C | TMS | 618.3592 | Semi standard non polar | 3322.4055 |
RI01722300 | Clascoterone,2TMS,isomer#3 | JsmolCCC(=O)O[C@]1(C(=CO)O[Si](C)(C)C)CC[C@H]2[C@@H]3CCC4=CC(O[Si](C)(C)C)=CC[C@]4(C)[C@H]3CC[C@@]21C | TMS | 546.3197 | Semi standard non polar | 3315.0498 |
RI01722299 | Clascoterone,2TMS,isomer#2 | JsmolCCC(=O)O[C@]1(C(=O)CO[Si](C)(C)C)CC[C@H]2[C@@H]3CCC4=CC(O[Si](C)(C)C)=CC[C@]4(C)[C@H]3CC[C@@]21C | TMS | 546.3197 | Semi standard non polar | 3352.9622 |
RI01722298 | Clascoterone,2TMS,isomer#1 | JsmolCCC(=O)O[C@]1(C(=CO[Si](C)(C)C)O[Si](C)(C)C)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C | TMS | 546.3197 | Semi standard non polar | 3421.8513 |
RI01722297 | Clascoterone,3TBDMS,isomer#1 | JsmolCCC(=O)O[C@]1(C(=CO[Si](C)(C)C(C)(C)C)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 | 744.5001 | Standard non polar | 3799.2458 |
RI01722296 | Clascoterone,2TBDMS,isomer#3 | JsmolCCC(=O)O[C@]1(C(=CO)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 | 630.4136 | Standard non polar | 3573.5266 |
RI01722295 | Clascoterone,2TBDMS,isomer#2 | JsmolCCC(=O)O[C@]1(C(=O)CO[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 | 630.4136 | Standard non polar | 3686.046 |
RI01722294 | Clascoterone,2TBDMS,isomer#1 | JsmolCCC(=O)O[C@]1(C(=CO[Si](C)(C)C(C)(C)C)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 | 630.4136 | Standard non polar | 3590.4453 |
RI01722293 | Clascoterone,3TMS,isomer#1 | JsmolCCC(=O)O[C@]1(C(=CO[Si](C)(C)C)O[Si](C)(C)C)CC[C@H]2[C@@H]3CCC4=CC(O[Si](C)(C)C)=CC[C@]4(C)[C@H]3CC[C@@]21C | TMS | 618.3592 | Standard non polar | 3258.0735 |
RI01722292 | Clascoterone,2TMS,isomer#3 | JsmolCCC(=O)O[C@]1(C(=CO)O[Si](C)(C)C)CC[C@H]2[C@@H]3CCC4=CC(O[Si](C)(C)C)=CC[C@]4(C)[C@H]3CC[C@@]21C | TMS | 546.3197 | Standard non polar | 3187.0217 |
RI01722291 | Clascoterone,2TMS,isomer#2 | JsmolCCC(=O)O[C@]1(C(=O)CO[Si](C)(C)C)CC[C@H]2[C@@H]3CCC4=CC(O[Si](C)(C)C)=CC[C@]4(C)[C@H]3CC[C@@]21C | TMS | 546.3197 | Standard non polar | 3253.514 |
RI01722290 | Clascoterone,2TMS,isomer#1 | JsmolCCC(=O)O[C@]1(C(=CO[Si](C)(C)C)O[Si](C)(C)C)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C | TMS | 546.3197 | Standard non polar | 3147.1177 |
RI01722289 | Remdesivir,4TMS,isomer#4 | JsmolCCC(CC)COC(=O)[C@H](C)N([Si](C)(C)C)[P@](=O)(OC[C@H]1O[C@@](C#N)(C2=CC=C3C(N([Si](C)(C)C)[Si](C)(C)C)=NC=NN23)[C@H](O)[C@@H]1O[Si](C)(C)C)OC1=CC=CC=C1 | TMS | 890.3835 | Standard polar | 5534.351 |
RI01722288 | Remdesivir,4TMS,isomer#3 | JsmolCCC(CC)COC(=O)[C@H](C)N([Si](C)(C)C)[P@](=O)(OC[C@H]1O[C@@](C#N)(C2=CC=C3C(N([Si](C)(C)C)[Si](C)(C)C)=NC=NN23)[C@H](O[Si](C)(C)C)[C@@H]1O)OC1=CC=CC=C1 | TMS | 890.3835 | Standard polar | 5521.5635 |
RI01722287 | Remdesivir,4TMS,isomer#2 | JsmolCCC(CC)COC(=O)[C@H](C)N[P@](=O)(OC[C@H]1O[C@@](C#N)(C2=CC=C3C(N([Si](C)(C)C)[Si](C)(C)C)=NC=NN23)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)OC1=CC=CC=C1 | TMS | 890.3835 | Standard polar | 5503.6 |
RI01722286 | Remdesivir,4TMS,isomer#1 | JsmolCCC(CC)COC(=O)[C@H](C)N([Si](C)(C)C)[P@](=O)(OC[C@H]1O[C@@](C#N)(C2=CC=C3C(N[Si](C)(C)C)=NC=NN23)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)OC1=CC=CC=C1 | TMS | 890.3835 | Standard polar | 5633.6177 |
RI01722285 | Remdesivir,3TMS,isomer#7 | JsmolCCC(CC)COC(=O)[C@H](C)N([Si](C)(C)C)[P@](=O)(OC[C@H]1O[C@@](C#N)(C2=CC=C3C(N([Si](C)(C)C)[Si](C)(C)C)=NC=NN23)[C@H](O)[C@@H]1O)OC1=CC=CC=C1 | TMS | 818.344 | Standard polar | 5841.2188 |
RI01722284 | Remdesivir,3TMS,isomer#6 | JsmolCCC(CC)COC(=O)[C@H](C)N[P@](=O)(OC[C@H]1O[C@@](C#N)(C2=CC=C3C(N([Si](C)(C)C)[Si](C)(C)C)=NC=NN23)[C@H](O)[C@@H]1O[Si](C)(C)C)OC1=CC=CC=C1 | TMS | 818.344 | Standard polar | 5833.796 |
RI01722283 | Remdesivir,3TMS,isomer#5 | JsmolCCC(CC)COC(=O)[C@H](C)N([Si](C)(C)C)[P@](=O)(OC[C@H]1O[C@@](C#N)(C2=CC=C3C(N[Si](C)(C)C)=NC=NN23)[C@H](O)[C@@H]1O[Si](C)(C)C)OC1=CC=CC=C1 | TMS | 818.344 | Standard polar | 5910.717 |
RI01722282 | Remdesivir,3TMS,isomer#4 | JsmolCCC(CC)COC(=O)[C@H](C)N[P@](=O)(OC[C@H]1O[C@@](C#N)(C2=CC=C3C(N([Si](C)(C)C)[Si](C)(C)C)=NC=NN23)[C@H](O[Si](C)(C)C)[C@@H]1O)OC1=CC=CC=C1 | TMS | 818.344 | Standard polar | 5813.202 |
RI01722281 | Remdesivir,3TMS,isomer#3 | JsmolCCC(CC)COC(=O)[C@H](C)N([Si](C)(C)C)[P@](=O)(OC[C@H]1O[C@@](C#N)(C2=CC=C3C(N[Si](C)(C)C)=NC=NN23)[C@H](O[Si](C)(C)C)[C@@H]1O)OC1=CC=CC=C1 | TMS | 818.344 | Standard polar | 5887.5664 |
RI01722280 | Remdesivir,3TMS,isomer#2 | JsmolCCC(CC)COC(=O)[C@H](C)N([Si](C)(C)C)[P@](=O)(OC[C@H]1O[C@@](C#N)(C2=CC=C3C(N)=NC=NN23)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)OC1=CC=CC=C1 | TMS | 818.344 | Standard polar | 6198.28 |
RI01722279 | Remdesivir,3TMS,isomer#1 | JsmolCCC(CC)COC(=O)[C@H](C)N[P@](=O)(OC[C@H]1O[C@@](C#N)(C2=CC=C3C(N[Si](C)(C)C)=NC=NN23)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)OC1=CC=CC=C1 | TMS | 818.344 | Standard polar | 5923.3667 |
RI01722278 | Remdesivir,4TMS,isomer#4 | JsmolCCC(CC)COC(=O)[C@H](C)N([Si](C)(C)C)[P@](=O)(OC[C@H]1O[C@@](C#N)(C2=CC=C3C(N([Si](C)(C)C)[Si](C)(C)C)=NC=NN23)[C@H](O)[C@@H]1O[Si](C)(C)C)OC1=CC=CC=C1 | TMS | 890.3835 | Semi standard non polar | 4387.76 |
RI01722277 | Remdesivir,4TMS,isomer#3 | JsmolCCC(CC)COC(=O)[C@H](C)N([Si](C)(C)C)[P@](=O)(OC[C@H]1O[C@@](C#N)(C2=CC=C3C(N([Si](C)(C)C)[Si](C)(C)C)=NC=NN23)[C@H](O[Si](C)(C)C)[C@@H]1O)OC1=CC=CC=C1 | TMS | 890.3835 | Semi standard non polar | 4407.6553 |