RI00007826 | Gluconolactone,1TBDMS,isomer#1 | JsmolCC(C)(C)[Si](C)(C)OC[C@H]1OC(=O)[C@H](O)[C@@H](O)[C@@H]1O | TBDMS | 292.1342 | Semi standard non polar | 1922.5559 |
RI00007827 | Gluconolactone,1TBDMS,isomer#2 | JsmolCC(C)(C)[Si](C)(C)O[C@H]1C(=O)O[C@H](CO)[C@@H](O)[C@@H]1O | TBDMS | 292.1342 | Semi standard non polar | 1941.261 |
RI00007828 | Gluconolactone,1TBDMS,isomer#3 | JsmolCC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)C(=O)O[C@H](CO)[C@H]1O | TBDMS | 292.1342 | Semi standard non polar | 1929.0709 |
RI00007829 | Gluconolactone,1TBDMS,isomer#4 | JsmolCC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO)OC(=O)[C@H](O)[C@H]1O | TBDMS | 292.1342 | Semi standard non polar | 1921.9409 |
RI00007830 | Gluconolactone,2TBDMS,isomer#1 | JsmolCC(C)(C)[Si](C)(C)OC[C@H]1OC(=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O | TBDMS | 406.2207 | Semi standard non polar | 2201.0923 |
RI00007831 | Gluconolactone,2TBDMS,isomer#2 | JsmolCC(C)(C)[Si](C)(C)OC[C@H]1OC(=O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O | TBDMS | 406.2207 | Semi standard non polar | 2204.6511 |
RI00007832 | Gluconolactone,2TBDMS,isomer#3 | JsmolCC(C)(C)[Si](C)(C)OC[C@H]1OC(=O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C | TBDMS | 406.2207 | Semi standard non polar | 2185.4512 |
RI00007833 | Gluconolactone,2TBDMS,isomer#4 | JsmolCC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)O[C@@H]1CO | TBDMS | 406.2207 | Semi standard non polar | 2195.2642 |
RI00007834 | Gluconolactone,2TBDMS,isomer#5 | JsmolCC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)O[C@H](CO)[C@H]1O | TBDMS | 406.2207 | Semi standard non polar | 2178.4536 |
RI00007835 | Gluconolactone,2TBDMS,isomer#6 | JsmolCC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO)OC(=O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C | TBDMS | 406.2207 | Semi standard non polar | 2183.8218 |
RI00007836 | Gluconolactone,3TBDMS,isomer#1 | JsmolCC(C)(C)[Si](C)(C)OC[C@H]1OC(=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O | TBDMS | 520.3072 | Semi standard non polar | 2474.206 |
RI00007837 | Gluconolactone,3TBDMS,isomer#2 | JsmolCC(C)(C)[Si](C)(C)OC[C@H]1OC(=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C | TBDMS | 520.3072 | Semi standard non polar | 2485.8682 |
RI00007838 | Gluconolactone,3TBDMS,isomer#3 | JsmolCC(C)(C)[Si](C)(C)OC[C@H]1OC(=O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C | TBDMS | 520.3072 | Semi standard non polar | 2471.615 |
RI00007839 | Gluconolactone,3TBDMS,isomer#4 | JsmolCC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)O[C@H](CO)[C@H]1O[Si](C)(C)C(C)(C)C | TBDMS | 520.3072 | Semi standard non polar | 2455.4119 |
RI00007840 | Gluconolactone,4TBDMS,isomer#1 | JsmolCC(C)(C)[Si](C)(C)OC[C@H]1OC(=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C | TBDMS | 634.3936 | Semi standard non polar | 2701.9263 |
RI00007841 | Gluconolactone | JsmolOC[C@H]1OC(=O)[C@H](O)[C@@H](O)[C@@H]1O | Underivatized | 178.0477 | Standard polar | 3157.2688 |
RI00007842 | Gluconolactone | JsmolOC[C@H]1OC(=O)[C@H](O)[C@@H](O)[C@@H]1O | Underivatized | 178.0477 | Standard non polar | 1752.4142 |
RI00007843 | Gluconolactone | JsmolOC[C@H]1OC(=O)[C@H](O)[C@@H](O)[C@@H]1O | Underivatized | 178.0477 | Semi standard non polar | 1668.8138 |
RI00007844 | Estradiol,1TMS,isomer#1 | JsmolC[C@]12CC[C@@H]3C4=CC=C(O)C=C4CC[C@H]3[C@@H]1CC[C@@H]2O[Si](C)(C)C | TMS | 344.2172 | Semi standard non polar | 2677.5378 |
RI00007845 | Estradiol,1TMS,isomer#2 | JsmolC[C@]12CC[C@@H]3C4=CC=C(O[Si](C)(C)C)C=C4CC[C@H]3[C@@H]1CC[C@@H]2O | TMS | 344.2172 | Semi standard non polar | 2655.227 |
RI00007846 | Estradiol,2TMS,isomer#1 | JsmolC[C@]12CC[C@@H]3C4=CC=C(O[Si](C)(C)C)C=C4CC[C@H]3[C@@H]1CC[C@@H]2O[Si](C)(C)C | TMS | 416.2567 | Semi standard non polar | 2708.0015 |
RI00007847 | Estradiol,1TBDMS,isomer#1 | JsmolCC(C)(C)[Si](C)(C)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(O)=CC=C4[C@H]3CC[C@]12C | TBDMS | 386.2641 | Semi standard non polar | 2965.662 |
RI00007848 | Estradiol,1TBDMS,isomer#2 | JsmolCC(C)(C)[Si](C)(C)OC1=CC=C2C(=C1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12 | TBDMS | 386.2641 | Semi standard non polar | 2953.9277 |
RI00007849 | Estradiol,2TBDMS,isomer#1 | JsmolCC(C)(C)[Si](C)(C)OC1=CC=C2C(=C1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O[Si](C)(C)C(C)(C)C)CC[C@@H]12 | TBDMS | 500.3506 | Semi standard non polar | 3270.9172 |
RI00007850 | Estradiol | Jsmol[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3 | Underivatized | 272.1776 | Standard polar | 3547.9333 |