RI00002976 | Androstenedione | Jsmol[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C | Underivatized | 286.1933 | Semi standard non polar | 2706.9214 |
RI00002977 | Androstenedione,1TMS,isomer#1 | JsmolC[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC=C2O[Si](C)(C)C | TMS | 358.2328 | Semi standard non polar | 2739.9233 |
RI00002978 | Androstenedione,1TMS,isomer#2 | JsmolC[C@]12CC[C@H]3[C@@H](CCC4=CC(O[Si](C)(C)C)=CC[C@@]43C)[C@@H]1CCC2=O | TMS | 358.2328 | Semi standard non polar | 2630.5505 |
RI00002979 | Androstenedione,2TMS,isomer#1 | JsmolC[C@]12CC[C@H]3[C@@H](CCC4=CC(O[Si](C)(C)C)=CC[C@@]43C)[C@@H]1CC=C2O[Si](C)(C)C | TMS | 430.2723 | Semi standard non polar | 2694.166 |
RI00002980 | Androstenedione,1TBDMS,isomer#1 | JsmolCC(C)(C)[Si](C)(C)OC1=CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C | TBDMS | 400.2798 | Semi standard non polar | 2978.8398 |
RI00002981 | Androstenedione,1TBDMS,isomer#2 | JsmolCC(C)(C)[Si](C)(C)OC1=CC[C@@]2(C)C(=C1)CC[C@H]1[C@@H]3CCC(=O)[C@@]3(C)CC[C@@H]12 | TBDMS | 400.2798 | Semi standard non polar | 2874.6611 |
RI00002982 | Androstenedione,2TBDMS,isomer#1 | JsmolCC(C)(C)[Si](C)(C)OC1=CC[C@@]2(C)C(=C1)CC[C@H]1[C@@H]3CC=C(O[Si](C)(C)C(C)(C)C)[C@@]3(C)CC[C@@H]12 | TBDMS | 514.3662 | Semi standard non polar | 3215.9312 |
RI00002983 | Androstenedione,1TMS,isomer#1 | JsmolC[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC=C2O[Si](C)(C)C | TMS | 358.2328 | Standard polar | 2902.157 |
RI00002984 | Androstenedione,1TMS,isomer#2 | JsmolC[C@]12CC[C@H]3[C@@H](CCC4=CC(O[Si](C)(C)C)=CC[C@@]43C)[C@@H]1CCC2=O | TMS | 358.2328 | Standard polar | 2995.0479 |
RI00002985 | Androstenedione,2TMS,isomer#1 | JsmolC[C@]12CC[C@H]3[C@@H](CCC4=CC(O[Si](C)(C)C)=CC[C@@]43C)[C@@H]1CC=C2O[Si](C)(C)C | TMS | 430.2723 | Standard polar | 2963.6191 |
RI00002986 | Androstenedione,1TBDMS,isomer#1 | JsmolCC(C)(C)[Si](C)(C)OC1=CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C | TBDMS | 400.2798 | Standard polar | 3066.1768 |
RI00002987 | Androstenedione,1TBDMS,isomer#2 | JsmolCC(C)(C)[Si](C)(C)OC1=CC[C@@]2(C)C(=C1)CC[C@H]1[C@@H]3CCC(=O)[C@@]3(C)CC[C@@H]12 | TBDMS | 400.2798 | Standard polar | 3159.2117 |
RI00002988 | Androstenedione,2TBDMS,isomer#1 | JsmolCC(C)(C)[Si](C)(C)OC1=CC[C@@]2(C)C(=C1)CC[C@H]1[C@@H]3CC=C(O[Si](C)(C)C(C)(C)C)[C@@]3(C)CC[C@@H]12 | TBDMS | 514.3662 | Standard polar | 3219.2134 |
RI00002989 | Bilirubin,1TMS,isomer#1 | JsmolC=CC1=C(C)/C(=C/C2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(/C=C4\NC(=O)C(C)=C4C=C)[NH]3)[NH]2)NC1=O | TMS | 656.303 | Semi standard non polar | 5322.767 |
RI00002990 | Bilirubin,1TMS,isomer#2 | JsmolC=CC1=C(C)/C(=C/C2=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC3=C(CCC(=O)O)C(C)=C(/C=C4\NC(=O)C(C)=C4C=C)[NH]3)[NH]2)NC1=O | TMS | 656.303 | Semi standard non polar | 5322.9185 |
RI00002991 | Bilirubin,1TMS,isomer#3 | JsmolC=CC1=C(C)/C(=C/C2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O)C(C)=C(/C=C4/C(C=C)=C(C)C(=O)N4[Si](C)(C)C)[NH]3)[NH]2)NC1=O | TMS | 656.303 | Semi standard non polar | 5164.133 |
RI00002992 | Bilirubin,1TMS,isomer#4 | JsmolC=CC1=C(C)/C(=C/C2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O)C(C)=C(/C=C4\NC(=O)C(C)=C4C=C)[NH]3)N2[Si](C)(C)C)NC1=O | TMS | 656.303 | Semi standard non polar | 5376.3794 |
RI00002993 | Bilirubin,1TMS,isomer#5 | JsmolC=CC1=C(C)/C(=C/C2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O)C(C)=C(/C=C4\NC(=O)C(C)=C4C=C)[NH]3)[NH]2)N([Si](C)(C)C)C1=O | TMS | 656.303 | Semi standard non polar | 5155.9834 |
RI00002994 | Bilirubin,1TMS,isomer#6 | JsmolC=CC1=C(C)/C(=C/C2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O)C(C)=C(/C=C4\NC(=O)C(C)=C4C=C)N3[Si](C)(C)C)[NH]2)NC1=O | TMS | 656.303 | Semi standard non polar | 5379.954 |
RI00002995 | Bilirubin,2TMS,isomer#1 | JsmolC=CC1=C(C)/C(=C/C2=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(/C=C4\NC(=O)C(C)=C4C=C)[NH]3)[NH]2)NC1=O | TMS | 728.3425 | Semi standard non polar | 5144.0757 |
RI00002996 | Bilirubin,2TMS,isomer#2 | JsmolC=CC1=C(C)/C(=C/C2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(/C=C4\NC(=O)C(C)=C4C=C)[NH]3)N2[Si](C)(C)C)NC1=O | TMS | 728.3425 | Semi standard non polar | 5201.1377 |
RI00002997 | Bilirubin,2TMS,isomer#3 | JsmolC=CC1=C(C)/C(=C/C2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(/C=C4\NC(=O)C(C)=C4C=C)N3[Si](C)(C)C)[NH]2)NC1=O | TMS | 728.3425 | Semi standard non polar | 5204.276 |
RI00002998 | Bilirubin,2TMS,isomer#4 | JsmolC=CC1=C(C)/C(=C/C2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(/C=C4/C(C=C)=C(C)C(=O)N4[Si](C)(C)C)[NH]3)[NH]2)NC1=O | TMS | 728.3425 | Semi standard non polar | 5018.058 |
RI00002999 | Bilirubin,2TMS,isomer#5 | JsmolC=CC1=C(C)/C(=C/C2=C(C)C(CCC(=O)O)=C(CC3=C(CCC(=O)O[Si](C)(C)C)C(C)=C(/C=C4\NC(=O)C(C)=C4C=C)[NH]3)[NH]2)N([Si](C)(C)C)C1=O | TMS | 728.3425 | Semi standard non polar | 5010.2344 |
RI00003000 | Bilirubin,2TMS,isomer#6 | JsmolC=CC1=C(C)/C(=C/C2=C(C)C(CCC(=O)O[Si](C)(C)C)=C(CC3=C(CCC(=O)O)C(C)=C(/C=C4\NC(=O)C(C)=C4C=C)[NH]3)N2[Si](C)(C)C)NC1=O | TMS | 728.3425 | Semi standard non polar | 5199.9526 |