RIpred (Beta) is still undergoing development. Please feel free to explore and use the predictor. Please provide us with your feedback..

Displaying retention index compounds 20501 - 20525 of 1722868 in total
RIpred ID Structure Name Chemical Structure Derivatization Type
Base compound Mass
GC Column/Stationary Phase Retention Index
3b,7a,12a-Trihydroxy-5b-cholanoic acid,2TBDMS,isomer#4JsmolC[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)(C)C)[C@@]21C)[C@@]1(C)CC[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1C[C@H]3OTBDMS636.4605Semi standard non polar3798.591
3b,7a,12a-Trihydroxy-5b-cholanoic acid,2TBDMS,isomer#5JsmolC[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)(C)C)[C@@]21C)[C@@]1(C)CC[C@H](O)C[C@H]1C[C@H]3O[Si](C)(C)C(C)(C)CTBDMS636.4605Semi standard non polar3767.2058
3b,7a,12a-Trihydroxy-5b-cholanoic acid,2TBDMS,isomer#6JsmolC[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)C)C[C@H]1C[C@H]3O[Si](C)(C)C(C)(C)CTBDMS636.4605Semi standard non polar3761.418
3b,7a,12a-Trihydroxy-5b-cholanoic acid,3TBDMS,isomer#1JsmolC[C@H](CCC(=O)O[Si](C)(C)C(C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O[Si](C)(C)C(C)(C)C)[C@@]21C)[C@@]1(C)CC[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1C[C@H]3OTBDMS750.547Semi standard non polar3986.646
3b,7a,12a-Trihydroxy-5b-cholanoic acid,3TBDMS,isomer#2JsmolC[C@H](CCC(=O)O[Si](C)(C)C(C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O[Si](C)(C)C(C)(C)C)[C@@]21C)[C@@]1(C)CC[C@H](O)C[C@H]1C[C@H]3O[Si](C)(C)C(C)(C)CTBDMS750.547Semi standard non polar3958.4512
3b,7a,12a-Trihydroxy-5b-cholanoic acid,3TBDMS,isomer#3JsmolC[C@H](CCC(=O)O[Si](C)(C)C(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)C)C[C@H]1C[C@H]3O[Si](C)(C)C(C)(C)CTBDMS750.547Semi standard non polar3941.7725
3b,7a,12a-Trihydroxy-5b-cholanoic acid,3TBDMS,isomer#4JsmolC[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)(C)C)[C@@]21C)[C@@]1(C)CC[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1C[C@H]3O[Si](C)(C)C(C)(C)CTBDMS750.547Semi standard non polar3967.2468
3b,7a,12a-Trihydroxy-5b-cholanoic acid,4TBDMS,isomer#1JsmolC[C@H](CCC(=O)O[Si](C)(C)C(C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O[Si](C)(C)C(C)(C)C)[C@@]21C)[C@@]1(C)CC[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1C[C@H]3O[Si](C)(C)C(C)(C)CTBDMS864.6335Semi standard non polar4162.0063
3b,7a,12a-Trihydroxy-5b-cholanoic acidJsmol[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)[C@@H](O)C[C@@]1([H])[C@@]2([H])[C@H](O)C[C@]2([H])C[C@@H](O)CC[C@]12CUnderivatized408.2876Standard polar4216.655
3b,7a,12a-Trihydroxy-5b-cholanoic acidJsmol[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)[C@@H](O)C[C@@]1([H])[C@@]2([H])[C@H](O)C[C@]2([H])C[C@@H](O)CC[C@]12CUnderivatized408.2876Standard non polar3464.1238
3b,7a,12a-Trihydroxy-5b-cholanoic acidJsmol[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)[C@@H](O)C[C@@]1([H])[C@@]2([H])[C@H](O)C[C@]2([H])C[C@@H](O)CC[C@]12CUnderivatized408.2876Semi standard non polar3681.9438
2,3-Dihydroxyvaleric acid,1TMS,isomer#1JsmolCCC(O[Si](C)(C)C)C(O)C(=O)OTMS206.0974Semi standard non polar1294.533
2,3-Dihydroxyvaleric acid,1TMS,isomer#2JsmolCCC(O)C(O[Si](C)(C)C)C(=O)OTMS206.0974Semi standard non polar1294.9762
2,3-Dihydroxyvaleric acid,1TMS,isomer#3JsmolCCC(O)C(O)C(=O)O[Si](C)(C)CTMS206.0974Semi standard non polar1209.8739
2,3-Dihydroxyvaleric acid,2TMS,isomer#1JsmolCCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(=O)OTMS278.137Semi standard non polar1365.657
2,3-Dihydroxyvaleric acid,2TMS,isomer#2JsmolCCC(O[Si](C)(C)C)C(O)C(=O)O[Si](C)(C)CTMS278.137Semi standard non polar1335.6229
2,3-Dihydroxyvaleric acid,2TMS,isomer#3JsmolCCC(O)C(O[Si](C)(C)C)C(=O)O[Si](C)(C)CTMS278.137Semi standard non polar1325.915
2,3-Dihydroxyvaleric acid,3TMS,isomer#1JsmolCCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(=O)O[Si](C)(C)CTMS350.1765Semi standard non polar1446.937
2,3-Dihydroxyvaleric acid,1TBDMS,isomer#1JsmolCCC(O[Si](C)(C)C(C)(C)C)C(O)C(=O)OTBDMS248.1444Semi standard non polar1535.2822
2,3-Dihydroxyvaleric acid,1TBDMS,isomer#2JsmolCCC(O)C(O[Si](C)(C)C(C)(C)C)C(=O)OTBDMS248.1444Semi standard non polar1522.461
2,3-Dihydroxyvaleric acid,1TBDMS,isomer#3JsmolCCC(O)C(O)C(=O)O[Si](C)(C)C(C)(C)CTBDMS248.1444Semi standard non polar1451.6389
2,3-Dihydroxyvaleric acid,2TBDMS,isomer#1JsmolCCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(=O)OTBDMS362.2309Semi standard non polar1793.4915
2,3-Dihydroxyvaleric acid,2TBDMS,isomer#2JsmolCCC(O[Si](C)(C)C(C)(C)C)C(O)C(=O)O[Si](C)(C)C(C)(C)CTBDMS362.2309Semi standard non polar1773.6812
2,3-Dihydroxyvaleric acid,2TBDMS,isomer#3JsmolCCC(O)C(O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)CTBDMS362.2309Semi standard non polar1755.1989
2,3-Dihydroxyvaleric acid,3TBDMS,isomer#1JsmolCCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)CTBDMS476.3173Semi standard non polar2025.338
Displaying retention index compounds 20501 - 20525 of 1722868 in total