RI00019226 | 17-Hydroxyprogesterone,2TMS,isomer#2 | JsmolC=C(O[Si](C)(C)C)[C@@]1(O[Si](C)(C)C)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C | TMS | 474.2985 | Standard polar | 3293.1553 |
RI00019227 | 17-Hydroxyprogesterone,2TMS,isomer#3 | JsmolC=C(O[Si](C)(C)C)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(O[Si](C)(C)C)=CC[C@]4(C)[C@H]3CC[C@@]21C | TMS | 474.2985 | Standard polar | 3342.089 |
RI00019228 | 17-Hydroxyprogesterone,3TMS,isomer#1 | JsmolC=C(O[Si](C)(C)C)[C@@]1(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 | 546.3381 | Standard polar | 3275.345 |
RI00019229 | 17-Hydroxyprogesterone,2TBDMS,isomer#1 | JsmolCC(=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 | 558.3924 | Standard polar | 3440.1643 |
RI00019230 | 17-Hydroxyprogesterone,2TBDMS,isomer#2 | JsmolC=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 | 558.3924 | Standard polar | 3498.0273 |
RI00019231 | 17-Hydroxyprogesterone,2TBDMS,isomer#3 | JsmolC=C(O[Si](C)(C)C(C)(C)C)[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 | 558.3924 | Standard polar | 3558.6033 |
RI00019232 | 17-Hydroxyprogesterone,3TBDMS,isomer#1 | JsmolC=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[Si](C)(C)C(C)(C)C)=CC[C@]4(C)[C@H]3CC[C@@]21C | TBDMS | 672.4789 | Standard polar | 3515.6348 |
RI00019233 | 3-(3-Hydroxyphenyl)propanoic acid,1TMS,isomer#1 | JsmolC[Si](C)(C)OC(=O)CCC1=CC=CC(O)=C1 | TMS | 238.1025 | Semi standard non polar | 1764.135 |
RI00019234 | 3-(3-Hydroxyphenyl)propanoic acid,1TMS,isomer#2 | JsmolC[Si](C)(C)OC1=CC=CC(CCC(=O)O)=C1 | TMS | 238.1025 | Semi standard non polar | 1736.3729 |
RI00019235 | 3-(3-Hydroxyphenyl)propanoic acid,2TMS,isomer#1 | JsmolC[Si](C)(C)OC(=O)CCC1=CC=CC(O[Si](C)(C)C)=C1 | TMS | 310.142 | Semi standard non polar | 1729.9712 |
RI00019236 | 3-(3-Hydroxyphenyl)propanoic acid,1TBDMS,isomer#1 | JsmolCC(C)(C)[Si](C)(C)OC(=O)CCC1=CC=CC(O)=C1 | TBDMS | 280.1495 | Semi standard non polar | 1992.3838 |
RI00019237 | 3-(3-Hydroxyphenyl)propanoic acid,1TBDMS,isomer#2 | JsmolCC(C)(C)[Si](C)(C)OC1=CC=CC(CCC(=O)O)=C1 | TBDMS | 280.1495 | Semi standard non polar | 1970.1636 |
RI00019238 | 3-(3-Hydroxyphenyl)propanoic acid,2TBDMS,isomer#1 | JsmolCC(C)(C)[Si](C)(C)OC(=O)CCC1=CC=CC(O[Si](C)(C)C(C)(C)C)=C1 | TBDMS | 394.2359 | Semi standard non polar | 2199.7446 |
RI00019239 | 3-(3-Hydroxyphenyl)propanoic acid | JsmolOC(=O)CCC1=CC(O)=CC=C1 | Underivatized | 166.063 | Standard polar | 3087.2356 |
RI00019240 | 3-(3-Hydroxyphenyl)propanoic acid | JsmolOC(=O)CCC1=CC(O)=CC=C1 | Underivatized | 166.063 | Standard non polar | 1631.8539 |
RI00019241 | 3-(3-Hydroxyphenyl)propanoic acid | JsmolOC(=O)CCC1=CC(O)=CC=C1 | Underivatized | 166.063 | Semi standard non polar | 1671.9293 |
RI00019242 | 3b,7a,12a-Trihydroxy-5a-Cholanoic acid,1TMS,isomer#1 | JsmolC[C@H](CCC(=O)O[Si](C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@H](O)C[C@@H]1C[C@H]3O | TMS | 480.3271 | Semi standard non polar | 3395.4204 |
RI00019243 | 3b,7a,12a-Trihydroxy-5a-Cholanoic acid,1TMS,isomer#2 | JsmolC[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O[Si](C)(C)C)[C@@]21C)[C@@]1(C)CC[C@H](O)C[C@@H]1C[C@H]3O | TMS | 480.3271 | Semi standard non polar | 3422.1794 |
RI00019244 | 3b,7a,12a-Trihydroxy-5a-Cholanoic acid,1TMS,isomer#3 | JsmolC[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@H](O)C[C@@H]1C[C@H]3O[Si](C)(C)C | TMS | 480.3271 | Semi standard non polar | 3367.0347 |
RI00019245 | 3b,7a,12a-Trihydroxy-5a-Cholanoic acid,1TMS,isomer#4 | JsmolC[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@H](O[Si](C)(C)C)C[C@@H]1C[C@H]3O | TMS | 480.3271 | Semi standard non polar | 3442.5322 |
RI00019246 | 3b,7a,12a-Trihydroxy-5a-Cholanoic acid,2TMS,isomer#1 | JsmolC[C@H](CCC(=O)O[Si](C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O[Si](C)(C)C)[C@@]21C)[C@@]1(C)CC[C@H](O)C[C@@H]1C[C@H]3O | TMS | 552.3666 | Semi standard non polar | 3379.4204 |
RI00019247 | 3b,7a,12a-Trihydroxy-5a-Cholanoic acid,2TMS,isomer#2 | JsmolC[C@H](CCC(=O)O[Si](C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@H](O[Si](C)(C)C)C[C@@H]1C[C@H]3O | TMS | 552.3666 | Semi standard non polar | 3385.4282 |
RI00019248 | 3b,7a,12a-Trihydroxy-5a-Cholanoic acid,2TMS,isomer#3 | JsmolC[C@H](CCC(=O)O[Si](C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@H](O)C[C@@H]1C[C@H]3O[Si](C)(C)C | TMS | 552.3666 | Semi standard non polar | 3314.0386 |
RI00019249 | 3b,7a,12a-Trihydroxy-5a-Cholanoic acid,2TMS,isomer#4 | JsmolC[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O[Si](C)(C)C)[C@@]21C)[C@@]1(C)CC[C@H](O[Si](C)(C)C)C[C@@H]1C[C@H]3O | TMS | 552.3666 | Semi standard non polar | 3372.2803 |
RI00019250 | 3b,7a,12a-Trihydroxy-5a-Cholanoic acid,2TMS,isomer#5 | JsmolC[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O[Si](C)(C)C)[C@@]21C)[C@@]1(C)CC[C@H](O)C[C@@H]1C[C@H]3O[Si](C)(C)C | TMS | 552.3666 | Semi standard non polar | 3337.0505 |