RI00018126 | 3-Hydroxysuberic acid | JsmolOC(CCCCC(O)=O)CC(O)=O | Underivatized | 190.0841 | Semi standard non polar | 1711.9951 |
RI00018127 | 1b,3a,12a-Trihydroxy-5b-cholanoic acid,1TMS,isomer#1 | JsmolC[C@H](CCC(=O)O[Si](C)(C)C)C1CCC2C3CCC4C[C@H](O)C[C@@H](O)[C@]4(C)C3C[C@H](O)[C@@]21C | TMS | 480.3271 | Semi standard non polar | 3518.6968 |
RI00018128 | 1b,3a,12a-Trihydroxy-5b-cholanoic acid,1TMS,isomer#2 | JsmolC[C@H](CCC(=O)O)C1CCC2C3CCC4C[C@H](O[Si](C)(C)C)C[C@@H](O)[C@]4(C)C3C[C@H](O)[C@@]21C | TMS | 480.3271 | Semi standard non polar | 3566.6052 |
RI00018129 | 1b,3a,12a-Trihydroxy-5b-cholanoic acid,1TMS,isomer#3 | JsmolC[C@H](CCC(=O)O)C1CCC2C3CCC4C[C@H](O)C[C@@H](O[Si](C)(C)C)[C@]4(C)C3C[C@H](O)[C@@]21C | TMS | 480.3271 | Semi standard non polar | 3567.62 |
RI00018130 | 1b,3a,12a-Trihydroxy-5b-cholanoic acid,1TMS,isomer#4 | JsmolC[C@H](CCC(=O)O)C1CCC2C3CCC4C[C@H](O)C[C@@H](O)[C@]4(C)C3C[C@H](O[Si](C)(C)C)[C@@]21C | TMS | 480.3271 | Semi standard non polar | 3559.3638 |
RI00018131 | 1b,3a,12a-Trihydroxy-5b-cholanoic acid,2TMS,isomer#1 | JsmolC[C@H](CCC(=O)O[Si](C)(C)C)C1CCC2C3CCC4C[C@H](O[Si](C)(C)C)C[C@@H](O)[C@]4(C)C3C[C@H](O)[C@@]21C | TMS | 552.3666 | Semi standard non polar | 3494.4167 |
RI00018132 | 1b,3a,12a-Trihydroxy-5b-cholanoic acid,2TMS,isomer#2 | JsmolC[C@H](CCC(=O)O[Si](C)(C)C)C1CCC2C3CCC4C[C@H](O)C[C@@H](O[Si](C)(C)C)[C@]4(C)C3C[C@H](O)[C@@]21C | TMS | 552.3666 | Semi standard non polar | 3485.2095 |
RI00018133 | 1b,3a,12a-Trihydroxy-5b-cholanoic acid,2TMS,isomer#3 | JsmolC[C@H](CCC(=O)O[Si](C)(C)C)C1CCC2C3CCC4C[C@H](O)C[C@@H](O)[C@]4(C)C3C[C@H](O[Si](C)(C)C)[C@@]21C | TMS | 552.3666 | Semi standard non polar | 3458.8525 |
RI00018134 | 1b,3a,12a-Trihydroxy-5b-cholanoic acid,2TMS,isomer#4 | JsmolC[C@H](CCC(=O)O)C1CCC2C3CCC4C[C@H](O[Si](C)(C)C)C[C@@H](O[Si](C)(C)C)[C@]4(C)C3C[C@H](O)[C@@]21C | TMS | 552.3666 | Semi standard non polar | 3518.4055 |
RI00018135 | 1b,3a,12a-Trihydroxy-5b-cholanoic acid,2TMS,isomer#5 | JsmolC[C@H](CCC(=O)O)C1CCC2C3CCC4C[C@H](O[Si](C)(C)C)C[C@@H](O)[C@]4(C)C3C[C@H](O[Si](C)(C)C)[C@@]21C | TMS | 552.3666 | Semi standard non polar | 3463.1995 |
RI00018136 | 1b,3a,12a-Trihydroxy-5b-cholanoic acid,2TMS,isomer#6 | JsmolC[C@H](CCC(=O)O)C1CCC2C3CCC4C[C@H](O)C[C@@H](O[Si](C)(C)C)[C@]4(C)C3C[C@H](O[Si](C)(C)C)[C@@]21C | TMS | 552.3666 | Semi standard non polar | 3465.9604 |
RI00018137 | 1b,3a,12a-Trihydroxy-5b-cholanoic acid,3TMS,isomer#1 | JsmolC[C@H](CCC(=O)O[Si](C)(C)C)C1CCC2C3CCC4C[C@H](O[Si](C)(C)C)C[C@@H](O[Si](C)(C)C)[C@]4(C)C3C[C@H](O)[C@@]21C | TMS | 624.4062 | Semi standard non polar | 3418.7654 |
RI00018138 | 1b,3a,12a-Trihydroxy-5b-cholanoic acid,3TMS,isomer#2 | JsmolC[C@H](CCC(=O)O[Si](C)(C)C)C1CCC2C3CCC4C[C@H](O[Si](C)(C)C)C[C@@H](O)[C@]4(C)C3C[C@H](O[Si](C)(C)C)[C@@]21C | TMS | 624.4062 | Semi standard non polar | 3357.6 |
RI00018139 | 1b,3a,12a-Trihydroxy-5b-cholanoic acid,3TMS,isomer#3 | JsmolC[C@H](CCC(=O)O[Si](C)(C)C)C1CCC2C3CCC4C[C@H](O)C[C@@H](O[Si](C)(C)C)[C@]4(C)C3C[C@H](O[Si](C)(C)C)[C@@]21C | TMS | 624.4062 | Semi standard non polar | 3360.476 |
RI00018140 | 1b,3a,12a-Trihydroxy-5b-cholanoic acid,3TMS,isomer#4 | JsmolC[C@H](CCC(=O)O)C1CCC2C3CCC4C[C@H](O[Si](C)(C)C)C[C@@H](O[Si](C)(C)C)[C@]4(C)C3C[C@H](O[Si](C)(C)C)[C@@]21C | TMS | 624.4062 | Semi standard non polar | 3403.0503 |
RI00018141 | 1b,3a,12a-Trihydroxy-5b-cholanoic acid,4TMS,isomer#1 | JsmolC[C@H](CCC(=O)O[Si](C)(C)C)C1CCC2C3CCC4C[C@H](O[Si](C)(C)C)C[C@@H](O[Si](C)(C)C)[C@]4(C)C3C[C@H](O[Si](C)(C)C)[C@@]21C | TMS | 696.4457 | Semi standard non polar | 3330.6355 |
RI00018142 | 1b,3a,12a-Trihydroxy-5b-cholanoic acid,1TBDMS,isomer#1 | JsmolC[C@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C1CCC2C3CCC4C[C@H](O)C[C@@H](O)[C@]4(C)C3C[C@H](O)[C@@]21C | TBDMS | 522.3741 | Semi standard non polar | 3771.3882 |
RI00018143 | 1b,3a,12a-Trihydroxy-5b-cholanoic acid,1TBDMS,isomer#2 | JsmolC[C@H](CCC(=O)O)C1CCC2C3CCC4C[C@H](O[Si](C)(C)C(C)(C)C)C[C@@H](O)[C@]4(C)C3C[C@H](O)[C@@]21C | TBDMS | 522.3741 | Semi standard non polar | 3783.9646 |
RI00018144 | 1b,3a,12a-Trihydroxy-5b-cholanoic acid,1TBDMS,isomer#3 | JsmolC[C@H](CCC(=O)O)C1CCC2C3CCC4C[C@H](O)C[C@@H](O[Si](C)(C)C(C)(C)C)[C@]4(C)C3C[C@H](O)[C@@]21C | TBDMS | 522.3741 | Semi standard non polar | 3773.3608 |
RI00018145 | 1b,3a,12a-Trihydroxy-5b-cholanoic acid,1TBDMS,isomer#4 | JsmolC[C@H](CCC(=O)O)C1CCC2C3CCC4C[C@H](O)C[C@@H](O)[C@]4(C)C3C[C@H](O[Si](C)(C)C(C)(C)C)[C@@]21C | TBDMS | 522.3741 | Semi standard non polar | 3778.5537 |
RI00018146 | 1b,3a,12a-Trihydroxy-5b-cholanoic acid,2TBDMS,isomer#1 | JsmolC[C@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C1CCC2C3CCC4C[C@H](O[Si](C)(C)C(C)(C)C)C[C@@H](O)[C@]4(C)C3C[C@H](O)[C@@]21C | TBDMS | 636.4605 | Semi standard non polar | 3932.6572 |
RI00018147 | 1b,3a,12a-Trihydroxy-5b-cholanoic acid,2TBDMS,isomer#2 | JsmolC[C@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C1CCC2C3CCC4C[C@H](O)C[C@@H](O[Si](C)(C)C(C)(C)C)[C@]4(C)C3C[C@H](O)[C@@]21C | TBDMS | 636.4605 | Semi standard non polar | 3896.1245 |
RI00018148 | 1b,3a,12a-Trihydroxy-5b-cholanoic acid,2TBDMS,isomer#3 | JsmolC[C@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C1CCC2C3CCC4C[C@H](O)C[C@@H](O)[C@]4(C)C3C[C@H](O[Si](C)(C)C(C)(C)C)[C@@]21C | TBDMS | 636.4605 | Semi standard non polar | 3925.5098 |
RI00018149 | 1b,3a,12a-Trihydroxy-5b-cholanoic acid,2TBDMS,isomer#4 | JsmolC[C@H](CCC(=O)O)C1CCC2C3CCC4C[C@H](O[Si](C)(C)C(C)(C)C)C[C@@H](O[Si](C)(C)C(C)(C)C)[C@]4(C)C3C[C@H](O)[C@@]21C | TBDMS | 636.4605 | Semi standard non polar | 3901.4656 |
RI00018150 | 1b,3a,12a-Trihydroxy-5b-cholanoic acid,2TBDMS,isomer#5 | JsmolC[C@H](CCC(=O)O)C1CCC2C3CCC4C[C@H](O[Si](C)(C)C(C)(C)C)C[C@@H](O)[C@]4(C)C3C[C@H](O[Si](C)(C)C(C)(C)C)[C@@]21C | TBDMS | 636.4605 | Semi standard non polar | 3871.9758 |