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 22751 - 22775 of 1722868 in total
RIpred ID Structure Name Chemical Structure Derivatization Type
Base compound Mass
GC Column/Stationary Phase Retention Index
3-Oxo-4,6-choladienoic acid,2TMS,isomer#1JsmolC[C@H](CCC(=O)O[Si](C)(C)C)[C@H]1CC[C@H]2[C@@H]3C=CC4=CC(O[Si](C)(C)C)=CC[C@]4(C)[C@H]3CC[C@@]21CTMS514.3298Standard non polar3273.353
3-Oxo-4,6-choladienoic acid,2TBDMS,isomer#1JsmolC[C@H](CCC(=O)O[Si](C)(C)C(C)(C)C)[C@H]1CC[C@H]2[C@@H]3C=CC4=CC(O[Si](C)(C)C(C)(C)C)=CC[C@]4(C)[C@H]3CC[C@@]21CTBDMS598.4237Standard non polar3695.302
3-Oxo-4,6-choladienoic acidJsmol[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C=CC2=CC(=O)CC[C@]12CUnderivatized370.2508Standard non polar3089.0657
3-Oxo-4,6-choladienoic acidJsmol[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C=CC2=CC(=O)CC[C@]12CUnderivatized370.2508Semi standard non polar3393.5303
3-Oxo-4,6-choladienoic acid,2TMS,isomer#1JsmolC[C@H](CCC(=O)O[Si](C)(C)C)[C@H]1CC[C@H]2[C@@H]3C=CC4=CC(O[Si](C)(C)C)=CC[C@]4(C)[C@H]3CC[C@@]21CTMS514.3298Semi standard non polar3334.5322
3-Oxo-4,6-choladienoic acid,2TBDMS,isomer#1JsmolC[C@H](CCC(=O)O[Si](C)(C)C(C)(C)C)[C@H]1CC[C@H]2[C@@H]3C=CC4=CC(O[Si](C)(C)C(C)(C)C)=CC[C@]4(C)[C@H]3CC[C@@]21CTBDMS598.4237Semi standard non polar3859.1672
3-Oxo-4,6-choladienoic acid,2TMS,isomer#1JsmolC[C@H](CCC(=O)O[Si](C)(C)C)[C@H]1CC[C@H]2[C@@H]3C=CC4=CC(O[Si](C)(C)C)=CC[C@]4(C)[C@H]3CC[C@@]21CTMS514.3298Standard polar3768.3152
3-Oxo-4,6-choladienoic acid,2TBDMS,isomer#1JsmolC[C@H](CCC(=O)O[Si](C)(C)C(C)(C)C)[C@H]1CC[C@H]2[C@@H]3C=CC4=CC(O[Si](C)(C)C(C)(C)C)=CC[C@]4(C)[C@H]3CC[C@@]21CTBDMS598.4237Standard polar3982.1765
7Z,10Z-Hexadecadienoic acid,1TMS,isomer#1JsmolCCCCC/C=C\C/C=C\CCCCCC(=O)O[Si](C)(C)CTMS324.2485Semi standard non polar2017.4103
7Z,10Z-Hexadecadienoic acid,1TBDMS,isomer#1JsmolCCCCC/C=C\C/C=C\CCCCCC(=O)O[Si](C)(C)C(C)(C)CTBDMS366.2954Semi standard non polar2255.0876
7Z,10Z-Hexadecadienoic acidJsmolCCCCC\C=C/C\C=C/CCCCCC(O)=OUnderivatized252.2089Standard polar3044.605
7Z,10Z-Hexadecadienoic acidJsmolCCCCC\C=C/C\C=C/CCCCCC(O)=OUnderivatized252.2089Standard non polar1876.1028
7Z,10Z-Hexadecadienoic acidJsmolCCCCC\C=C/C\C=C/CCCCCC(O)=OUnderivatized252.2089Semi standard non polar1945.1469
Allodeoxycholic acid,1TMS,isomer#1JsmolC[C@H](CCC(=O)O[Si](C)(C)C)C1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12CTMS464.3322Semi standard non polar3311.266
Allodeoxycholic acid,1TMS,isomer#2JsmolC[C@H](CCC(=O)O)C1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O[Si](C)(C)C)[C@]12CTMS464.3322Semi standard non polar3369.726
Allodeoxycholic acid,1TMS,isomer#3JsmolC[C@H](CCC(=O)O)C1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O[Si](C)(C)C)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12CTMS464.3322Semi standard non polar3408.4338
Allodeoxycholic acid,2TMS,isomer#1JsmolC[C@H](CCC(=O)O[Si](C)(C)C)C1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O[Si](C)(C)C)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12CTMS536.3717Semi standard non polar3329.356
Allodeoxycholic acid,2TMS,isomer#2JsmolC[C@H](CCC(=O)O[Si](C)(C)C)C1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O[Si](C)(C)C)[C@]12CTMS536.3717Semi standard non polar3282.923
Allodeoxycholic acid,2TMS,isomer#3JsmolC[C@H](CCC(=O)O)C1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O[Si](C)(C)C)CC[C@]4(C)[C@H]3C[C@H](O[Si](C)(C)C)[C@]12CTMS536.3717Semi standard non polar3328.9255
Allodeoxycholic acid,3TMS,isomer#1JsmolC[C@H](CCC(=O)O[Si](C)(C)C)C1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O[Si](C)(C)C)CC[C@]4(C)[C@H]3C[C@H](O[Si](C)(C)C)[C@]12CTMS608.4112Semi standard non polar3280.4048
Allodeoxycholic acid,1TBDMS,isomer#1JsmolC[C@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12CTBDMS506.3791Semi standard non polar3578.8086
Allodeoxycholic acid,1TBDMS,isomer#2JsmolC[C@H](CCC(=O)O)C1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O[Si](C)(C)C(C)(C)C)[C@]12CTBDMS506.3791Semi standard non polar3594.599
Allodeoxycholic acid,1TBDMS,isomer#3JsmolC[C@H](CCC(=O)O)C1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O[Si](C)(C)C(C)(C)C)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12CTBDMS506.3791Semi standard non polar3628.768
Allodeoxycholic acid,2TBDMS,isomer#1JsmolC[C@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O[Si](C)(C)C(C)(C)C)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12CTBDMS620.4656Semi standard non polar3799.9148
Allodeoxycholic acid,2TBDMS,isomer#2JsmolC[C@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O[Si](C)(C)C(C)(C)C)[C@]12CTBDMS620.4656Semi standard non polar3781.07
Displaying retention index compounds 22751 - 22775 of 1722868 in total