RI01722651 | Sarecycline,3TBDMS,isomer#8 | JsmolCON(C)CC1=CC=C(O[Si](C)(C)C(C)(C)C)C2=C1C[C@H]1C[C@H]3[C@H](N(C)C)C(O)=C(C(N)=O)C(=O)[C@@]3(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1C2=O | TBDMS | 829.4549 | Standard polar | 5100.538 |
RI01722650 | Sarecycline,3TBDMS,isomer#4 | JsmolCON(C)CC1=CC=C(O)C2=C1C[C@H]1C[C@H]3[C@H](N(C)C)C(O[Si](C)(C)C(C)(C)C)=C(C(N)=O)C(=O)[C@@]3(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1C2=O | TBDMS | 829.4549 | Standard polar | 5147.2397 |
RI01722649 | Sarecycline,2TBDMS,isomer#6 | JsmolCON(C)CC1=CC=C(O)C2=C1C[C@H]1C[C@H]3[C@H](N(C)C)C(O)=C(C(N)=O)C(=O)[C@@]3(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1C2=O | TBDMS | 715.3684 | Standard polar | 5343.9263 |
RI01722648 | Sarecycline,5TMS,isomer#5 | JsmolCON(C)CC1=CC=C(O[Si](C)(C)C)C2=C1C[C@H]1C[C@H]3[C@H](N(C)C)C(O)=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]3(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1C2=O | TMS | 847.3931 | Standard polar | 4167.618 |
RI01722647 | Sarecycline,5TMS,isomer#4 | JsmolCON(C)CC1=CC=C(O)C2=C1C[C@H]1C[C@H]3[C@H](N(C)C)C(O[Si](C)(C)C)=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]3(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1C2=O | TMS | 847.3931 | Standard polar | 4161.8735 |
RI01722646 | Sarecycline,5TMS,isomer#3 | JsmolCON(C)CC1=CC=C(O[Si](C)(C)C)C2=C1C[C@H]1C[C@H]3[C@H](N(C)C)C(O[Si](C)(C)C)=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]3(O)C(O[Si](C)(C)C)=C1C2=O | TMS | 847.3931 | Standard polar | 4209.4707 |
RI01722645 | Sarecycline,5TMS,isomer#2 | JsmolCON(C)CC1=CC=C(O[Si](C)(C)C)C2=C1C[C@H]1C[C@H]3[C@H](N(C)C)C(O[Si](C)(C)C)=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]3(O[Si](C)(C)C)C(O)=C1C2=O | TMS | 847.3931 | Standard polar | 4166.725 |
RI01722644 | Sarecycline,5TMS,isomer#1 | JsmolCON(C)CC1=CC=C(O[Si](C)(C)C)C2=C1C[C@H]1C[C@H]3[C@H](N(C)C)C(O[Si](C)(C)C)=C(C(=O)N[Si](C)(C)C)C(=O)[C@@]3(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1C2=O | TMS | 847.3931 | Standard polar | 4090.2598 |
RI01722643 | Sarecycline,4TMS,isomer#8 | JsmolCON(C)CC1=CC=C(O[Si](C)(C)C)C2=C1C[C@H]1C[C@H]3[C@H](N(C)C)C(O)=C(C(=O)N[Si](C)(C)C)C(=O)[C@@]3(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1C2=O | TMS | 775.3536 | Standard polar | 4345.2314 |
RI01722642 | Sarecycline,4TMS,isomer#5 | JsmolCON(C)CC1=CC=C(O)C2=C1C[C@H]1C[C@H]3[C@H](N(C)C)C(O[Si](C)(C)C)=C(C(=O)N[Si](C)(C)C)C(=O)[C@@]3(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1C2=O | TMS | 775.3536 | Standard polar | 4344.8125 |
RI01722641 | Sarecycline,4TMS,isomer#1 | JsmolCON(C)CC1=CC=C(O[Si](C)(C)C)C2=C1C[C@H]1C[C@H]3[C@H](N(C)C)C(O[Si](C)(C)C)=C(C(N)=O)C(=O)[C@@]3(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1C2=O | TMS | 775.3536 | Standard polar | 4878.9917 |
RI01722640 | Sarecycline,3TMS,isomer#10 | JsmolCON(C)CC1=CC=C(O)C2=C1C[C@H]1C[C@H]3[C@H](N(C)C)C(O)=C(C(=O)N[Si](C)(C)C)C(=O)[C@@]3(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1C2=O | TMS | 703.314 | Standard polar | 4664.086 |
RI01722639 | Sarecycline,3TMS,isomer#8 | JsmolCON(C)CC1=CC=C(O[Si](C)(C)C)C2=C1C[C@H]1C[C@H]3[C@H](N(C)C)C(O)=C(C(N)=O)C(=O)[C@@]3(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1C2=O | TMS | 703.314 | Standard polar | 5052.179 |
RI01722638 | Sarecycline,3TMS,isomer#4 | JsmolCON(C)CC1=CC=C(O)C2=C1C[C@H]1C[C@H]3[C@H](N(C)C)C(O[Si](C)(C)C)=C(C(N)=O)C(=O)[C@@]3(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1C2=O | TMS | 703.314 | Standard polar | 5127.3496 |
RI01722637 | Sarecycline,2TMS,isomer#6 | JsmolCON(C)CC1=CC=C(O)C2=C1C[C@H]1C[C@H]3[C@H](N(C)C)C(O)=C(C(N)=O)C(=O)[C@@]3(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1C2=O | TMS | 631.2745 | Standard polar | 5359.1646 |
RI01722636 | Sarecycline,3TBDMS,isomer#10 | JsmolCON(C)CC1=CC=C(O)C2=C1C[C@H]1C[C@H]3[C@H](N(C)C)C(O)=C(C(=O)N[Si](C)(C)C(C)(C)C)C(=O)[C@@]3(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1C2=O | TBDMS | 829.4549 | Semi standard non polar | 4134.1426 |
RI01722635 | Sarecycline,3TBDMS,isomer#8 | JsmolCON(C)CC1=CC=C(O[Si](C)(C)C(C)(C)C)C2=C1C[C@H]1C[C@H]3[C@H](N(C)C)C(O)=C(C(N)=O)C(=O)[C@@]3(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1C2=O | TBDMS | 829.4549 | Semi standard non polar | 4240.2524 |
RI01722634 | Sarecycline,3TBDMS,isomer#4 | JsmolCON(C)CC1=CC=C(O)C2=C1C[C@H]1C[C@H]3[C@H](N(C)C)C(O[Si](C)(C)C(C)(C)C)=C(C(N)=O)C(=O)[C@@]3(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1C2=O | TBDMS | 829.4549 | Semi standard non polar | 4232.1855 |
RI01722633 | Sarecycline,2TBDMS,isomer#6 | JsmolCON(C)CC1=CC=C(O)C2=C1C[C@H]1C[C@H]3[C@H](N(C)C)C(O)=C(C(N)=O)C(=O)[C@@]3(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1C2=O | TBDMS | 715.3684 | Semi standard non polar | 4086.737 |
RI01722632 | Sarecycline,5TMS,isomer#5 | JsmolCON(C)CC1=CC=C(O[Si](C)(C)C)C2=C1C[C@H]1C[C@H]3[C@H](N(C)C)C(O)=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]3(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1C2=O | TMS | 847.3931 | Semi standard non polar | 3668.4236 |
RI01722631 | Sarecycline,5TMS,isomer#4 | JsmolCON(C)CC1=CC=C(O)C2=C1C[C@H]1C[C@H]3[C@H](N(C)C)C(O[Si](C)(C)C)=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]3(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1C2=O | TMS | 847.3931 | Semi standard non polar | 3633.9512 |
RI01722630 | Sarecycline,5TMS,isomer#3 | JsmolCON(C)CC1=CC=C(O[Si](C)(C)C)C2=C1C[C@H]1C[C@H]3[C@H](N(C)C)C(O[Si](C)(C)C)=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]3(O)C(O[Si](C)(C)C)=C1C2=O | TMS | 847.3931 | Semi standard non polar | 3657.6157 |
RI01722629 | Sarecycline,5TMS,isomer#2 | JsmolCON(C)CC1=CC=C(O[Si](C)(C)C)C2=C1C[C@H]1C[C@H]3[C@H](N(C)C)C(O[Si](C)(C)C)=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]3(O[Si](C)(C)C)C(O)=C1C2=O | TMS | 847.3931 | Semi standard non polar | 3688.8193 |
RI01722628 | Sarecycline,5TMS,isomer#1 | JsmolCON(C)CC1=CC=C(O[Si](C)(C)C)C2=C1C[C@H]1C[C@H]3[C@H](N(C)C)C(O[Si](C)(C)C)=C(C(=O)N[Si](C)(C)C)C(=O)[C@@]3(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1C2=O | TMS | 847.3931 | Semi standard non polar | 3653.8843 |
RI01722627 | Sarecycline,4TMS,isomer#8 | JsmolCON(C)CC1=CC=C(O[Si](C)(C)C)C2=C1C[C@H]1C[C@H]3[C@H](N(C)C)C(O)=C(C(=O)N[Si](C)(C)C)C(=O)[C@@]3(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1C2=O | TMS | 775.3536 | Semi standard non polar | 3637.5415 |