RI00018751 | 3-Hydroxymethylglutaric acid,2TMS,isomer#1 | JsmolCC(CC(=O)O)(CC(=O)O[Si](C)(C)C)O[Si](C)(C)C | TMS | 306.1319 | Semi standard non polar | 1544.6703 |
RI00018752 | 3-Hydroxymethylglutaric acid,2TMS,isomer#2 | JsmolCC(O)(CC(=O)O[Si](C)(C)C)CC(=O)O[Si](C)(C)C | TMS | 306.1319 | Semi standard non polar | 1523.61 |
RI00018753 | 3-Hydroxymethylglutaric acid,3TMS,isomer#1 | JsmolCC(CC(=O)O[Si](C)(C)C)(CC(=O)O[Si](C)(C)C)O[Si](C)(C)C | TMS | 378.1714 | Semi standard non polar | 1609.2329 |
RI00018754 | 3-Hydroxymethylglutaric acid,1TBDMS,isomer#1 | JsmolCC(CC(=O)O)(CC(=O)O)O[Si](C)(C)C(C)(C)C | TBDMS | 276.1393 | Semi standard non polar | 1705.0923 |
RI00018755 | 3-Hydroxymethylglutaric acid,1TBDMS,isomer#2 | JsmolCC(O)(CC(=O)O)CC(=O)O[Si](C)(C)C(C)(C)C | TBDMS | 276.1393 | Semi standard non polar | 1716.6831 |
RI00018756 | 3-Hydroxymethylglutaric acid,2TBDMS,isomer#1 | JsmolCC(CC(=O)O)(CC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C | TBDMS | 390.2258 | Semi standard non polar | 2002.952 |
RI00018757 | 3-Hydroxymethylglutaric acid,2TBDMS,isomer#2 | JsmolCC(O)(CC(=O)O[Si](C)(C)C(C)(C)C)CC(=O)O[Si](C)(C)C(C)(C)C | TBDMS | 390.2258 | Semi standard non polar | 1990.5258 |
RI00018758 | 3-Hydroxymethylglutaric acid,3TBDMS,isomer#1 | JsmolCC(CC(=O)O[Si](C)(C)C(C)(C)C)(CC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C | TBDMS | 504.3123 | Semi standard non polar | 2252.8367 |
RI00018759 | 3-Hydroxymethylglutaric acid | JsmolCC(O)(CC(O)=O)CC(O)=O | Underivatized | 162.0528 | Standard polar | 2542.5024 |
RI00018760 | 3-Hydroxymethylglutaric acid | JsmolCC(O)(CC(O)=O)CC(O)=O | Underivatized | 162.0528 | Standard non polar | 1138.1216 |
RI00018761 | 3-Hydroxymethylglutaric acid | JsmolCC(O)(CC(O)=O)CC(O)=O | Underivatized | 162.0528 | Semi standard non polar | 1430.6991 |
RI00018762 | 17-Epiestriol,1TMS,isomer#1 | JsmolC[C@]12CC[C@@H]3C4=CC=C(O)C=C4CC[C@H]3[C@@H]1C[C@@H](O[Si](C)(C)C)[C@H]2O | TMS | 360.2121 | Semi standard non polar | 2789.2388 |
RI00018763 | 17-Epiestriol,1TMS,isomer#2 | JsmolC[C@]12CC[C@@H]3C4=CC=C(O)C=C4CC[C@H]3[C@@H]1C[C@@H](O)[C@H]2O[Si](C)(C)C | TMS | 360.2121 | Semi standard non polar | 2794.0862 |
RI00018764 | 17-Epiestriol,1TMS,isomer#3 | JsmolC[C@]12CC[C@@H]3C4=CC=C(O[Si](C)(C)C)C=C4CC[C@H]3[C@@H]1C[C@@H](O)[C@H]2O | TMS | 360.2121 | Semi standard non polar | 2771.8933 |
RI00018765 | 17-Epiestriol,2TMS,isomer#1 | JsmolC[C@]12CC[C@@H]3C4=CC=C(O[Si](C)(C)C)C=C4CC[C@H]3[C@@H]1C[C@@H](O[Si](C)(C)C)[C@H]2O | TMS | 432.2516 | Semi standard non polar | 2842.8718 |
RI00018766 | 17-Epiestriol,2TMS,isomer#2 | JsmolC[C@]12CC[C@@H]3C4=CC=C(O)C=C4CC[C@H]3[C@@H]1C[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C | TMS | 432.2516 | Semi standard non polar | 2782.1436 |
RI00018767 | 17-Epiestriol,2TMS,isomer#3 | JsmolC[C@]12CC[C@@H]3C4=CC=C(O[Si](C)(C)C)C=C4CC[C@H]3[C@@H]1C[C@@H](O)[C@H]2O[Si](C)(C)C | TMS | 432.2516 | Semi standard non polar | 2842.8809 |
RI00018768 | 17-Epiestriol,3TMS,isomer#1 | JsmolC[C@]12CC[C@@H]3C4=CC=C(O[Si](C)(C)C)C=C4CC[C@H]3[C@@H]1C[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C | TMS | 504.2911 | Semi standard non polar | 2907.424 |
RI00018769 | 17-Epiestriol,1TBDMS,isomer#1 | JsmolCC(C)(C)[Si](C)(C)O[C@@H]1C[C@H]2[C@@H]3CCC4=CC(O)=CC=C4[C@H]3CC[C@]2(C)[C@@H]1O | TBDMS | 402.259 | Semi standard non polar | 3065.0571 |
RI00018770 | 17-Epiestriol,1TBDMS,isomer#2 | JsmolCC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)C[C@H]2[C@@H]3CCC4=CC(O)=CC=C4[C@H]3CC[C@]12C | TBDMS | 402.259 | Semi standard non polar | 3081.2944 |
RI00018771 | 17-Epiestriol,1TBDMS,isomer#3 | JsmolCC(C)(C)[Si](C)(C)OC1=CC=C2C(=C1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H](O)[C@H](O)C[C@@H]12 | TBDMS | 402.259 | Semi standard non polar | 3084.2534 |
RI00018772 | 17-Epiestriol,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)[C@H](O[Si](C)(C)C(C)(C)C)C[C@@H]12 | TBDMS | 516.3455 | Semi standard non polar | 3374.4844 |
RI00018773 | 17-Epiestriol,2TBDMS,isomer#2 | JsmolCC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]2[C@@H]3CCC4=CC(O)=CC=C4[C@H]3CC[C@]12C | TBDMS | 516.3455 | Semi standard non polar | 3303.1074 |
RI00018774 | 17-Epiestriol,2TBDMS,isomer#3 | 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)[C@H](O)C[C@@H]12 | TBDMS | 516.3455 | Semi standard non polar | 3391.3965 |
RI00018775 | 17-Epiestriol,3TBDMS,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)[C@H](O[Si](C)(C)C(C)(C)C)C[C@@H]12 | TBDMS | 630.432 | Semi standard non polar | 3664.8398 |