RI00019176 | 1,3,12-Trihydroxycholan-24-oic acid,2TBDMS,isomer#4 | JsmolC[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CCC4CC(O[Si](C)(C)C(C)(C)C)CC(O)[C@]4(C)[C@H]3CC(O[Si](C)(C)C(C)(C)C)[C@@]21C | TBDMS | 636.4605 | Semi standard non polar | 3938.4236 |
RI00019177 | 1,3,12-Trihydroxycholan-24-oic acid,2TBDMS,isomer#5 | JsmolC[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CCC4CC(O)CC(O[Si](C)(C)C(C)(C)C)[C@]4(C)[C@H]3CC(O[Si](C)(C)C(C)(C)C)[C@@]21C | TBDMS | 636.4605 | Semi standard non polar | 3888.9226 |
RI00019178 | 1,3,12-Trihydroxycholan-24-oic acid,2TBDMS,isomer#6 | JsmolC[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CCC4CC(O[Si](C)(C)C(C)(C)C)CC(O[Si](C)(C)C(C)(C)C)[C@]4(C)[C@H]3CC(O)[C@@]21C | TBDMS | 636.4605 | Semi standard non polar | 3956.2317 |
RI00019179 | 1,3,12-Trihydroxycholan-24-oic acid,3TBDMS,isomer#1 | JsmolC[C@H](CCC(=O)O[Si](C)(C)C(C)(C)C)[C@H]1CC[C@H]2[C@@H]3CCC4CC(O[Si](C)(C)C(C)(C)C)CC(O[Si](C)(C)C(C)(C)C)[C@]4(C)[C@H]3CC(O)[C@@]21C | TBDMS | 750.547 | Semi standard non polar | 4086.924 |
RI00019180 | 1,3,12-Trihydroxycholan-24-oic acid,3TBDMS,isomer#2 | JsmolC[C@H](CCC(=O)O[Si](C)(C)C(C)(C)C)[C@H]1CC[C@H]2[C@@H]3CCC4CC(O[Si](C)(C)C(C)(C)C)CC(O)[C@]4(C)[C@H]3CC(O[Si](C)(C)C(C)(C)C)[C@@]21C | TBDMS | 750.547 | Semi standard non polar | 4091.8672 |
RI00019181 | 1,3,12-Trihydroxycholan-24-oic acid,3TBDMS,isomer#3 | JsmolC[C@H](CCC(=O)O[Si](C)(C)C(C)(C)C)[C@H]1CC[C@H]2[C@@H]3CCC4CC(O)CC(O[Si](C)(C)C(C)(C)C)[C@]4(C)[C@H]3CC(O[Si](C)(C)C(C)(C)C)[C@@]21C | TBDMS | 750.547 | Semi standard non polar | 4043.897 |
RI00019182 | 1,3,12-Trihydroxycholan-24-oic acid,3TBDMS,isomer#4 | JsmolC[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CCC4CC(O[Si](C)(C)C(C)(C)C)CC(O[Si](C)(C)C(C)(C)C)[C@]4(C)[C@H]3CC(O[Si](C)(C)C(C)(C)C)[C@@]21C | TBDMS | 750.547 | Semi standard non polar | 4083.647 |
RI00019183 | 1,3,12-Trihydroxycholan-24-oic acid,4TBDMS,isomer#1 | JsmolC[C@H](CCC(=O)O[Si](C)(C)C(C)(C)C)[C@H]1CC[C@H]2[C@@H]3CCC4CC(O[Si](C)(C)C(C)(C)C)CC(O[Si](C)(C)C(C)(C)C)[C@]4(C)[C@H]3CC(O[Si](C)(C)C(C)(C)C)[C@@]21C | TBDMS | 864.6335 | Semi standard non polar | 4238.339 |
RI00019184 | 1,3,12-Trihydroxycholan-24-oic acid | Jsmol[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)C(O)C[C@@]1([H])[C@@]2([H])CCC2CC(O)CC(O)[C@]12C | Underivatized | 408.2876 | Standard polar | 3626.3518 |
RI00019185 | 1,3,12-Trihydroxycholan-24-oic acid | Jsmol[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)C(O)C[C@@]1([H])[C@@]2([H])CCC2CC(O)CC(O)[C@]12C | Underivatized | 408.2876 | Standard non polar | 3310.1707 |
RI00019186 | 1,3,12-Trihydroxycholan-24-oic acid | Jsmol[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)C(O)C[C@@]1([H])[C@@]2([H])CCC2CC(O)CC(O)[C@]12C | Underivatized | 408.2876 | Semi standard non polar | 3683.737 |
RI00019187 | 16-Oxoestrone,1TMS,isomer#1 | JsmolC[C@]12CCC3C4=CC=C(O[Si](C)(C)C)C=C4CCC3C1CC(=O)C2=O | TMS | 356.1808 | Semi standard non polar | 2840.03 |
RI00019188 | 16-Oxoestrone,1TMS,isomer#2 | JsmolC[C@]12CCC3C4=CC=C(O)C=C4CCC3C1C=C(O[Si](C)(C)C)C2=O | TMS | 356.1808 | Semi standard non polar | 2786.0234 |
RI00019189 | 16-Oxoestrone,1TBDMS,isomer#1 | JsmolCC(C)(C)[Si](C)(C)OC1=CC=C2C(=C1)CCC1C2CC[C@]2(C)C(=O)C(=O)CC12 | TBDMS | 398.2277 | Semi standard non polar | 3080.5334 |
RI00019190 | 16-Oxoestrone,1TBDMS,isomer#2 | JsmolCC(C)(C)[Si](C)(C)OC1=CC2C3CCC4=CC(O)=CC=C4C3CC[C@]2(C)C1=O | TBDMS | 398.2277 | Semi standard non polar | 3074.854 |
RI00019191 | 16-Oxoestrone | JsmolC[C@]12CCC3C(CCC4=C3C=CC(O)=C4)C1CC(=O)C2=O | Underivatized | 284.1412 | Standard polar | 3743.424 |
RI00019192 | 16-Oxoestrone,2TMS,isomer#1 | JsmolC[C@]12CCC3C4=CC=C(O[Si](C)(C)C)C=C4CCC3C1C=C(O[Si](C)(C)C)C2=O | TMS | 428.2203 | Standard non polar | 2729.0476 |
RI00019193 | 16-Oxoestrone,2TBDMS,isomer#1 | JsmolCC(C)(C)[Si](C)(C)OC1=CC2C3CCC4=CC(O[Si](C)(C)C(C)(C)C)=CC=C4C3CC[C@]2(C)C1=O | TBDMS | 512.3142 | Standard non polar | 3181.6946 |
RI00019194 | 16-Oxoestrone | JsmolC[C@]12CCC3C(CCC4=C3C=CC(O)=C4)C1CC(=O)C2=O | Underivatized | 284.1412 | Standard non polar | 2527.9863 |
RI00019195 | 16-Oxoestrone | JsmolC[C@]12CCC3C(CCC4=C3C=CC(O)=C4)C1CC(=O)C2=O | Underivatized | 284.1412 | Semi standard non polar | 2858.6096 |
RI00019196 | 16-Oxoestrone,2TMS,isomer#1 | JsmolC[C@]12CCC3C4=CC=C(O[Si](C)(C)C)C=C4CCC3C1C=C(O[Si](C)(C)C)C2=O | TMS | 428.2203 | Semi standard non polar | 2821.166 |
RI00019197 | 16-Oxoestrone,2TBDMS,isomer#1 | JsmolCC(C)(C)[Si](C)(C)OC1=CC2C3CCC4=CC(O[Si](C)(C)C(C)(C)C)=CC=C4C3CC[C@]2(C)C1=O | TBDMS | 512.3142 | Semi standard non polar | 3343.7817 |
RI00019198 | 16-Oxoestrone,2TMS,isomer#1 | JsmolC[C@]12CCC3C4=CC=C(O[Si](C)(C)C)C=C4CCC3C1C=C(O[Si](C)(C)C)C2=O | TMS | 428.2203 | Standard polar | 3087.0518 |
RI00019199 | 16-Oxoestrone,2TBDMS,isomer#1 | JsmolCC(C)(C)[Si](C)(C)OC1=CC2C3CCC4=CC(O[Si](C)(C)C(C)(C)C)=CC=C4C3CC[C@]2(C)C1=O | TBDMS | 512.3142 | Standard polar | 3317.1238 |
RI00019200 | 17-Hydroxyprogesterone,1TMS,isomer#1 | JsmolCC(=O)[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 | 402.259 | Semi standard non polar | 3074.3801 |