RI01701776 | Citrusin II,2TMS,isomer#13 | JsmolCC1NC(=O)C2CCCN2C(=O)CNC(=O)CNC(=O)C(CC2=CN([Si](C)(C)C)C3=CC=CC=C23)N([Si](C)(C)C)C(=O)C(CC2=CC=CC=C2)NC(=O)C2CCCN2C1=O | TMS | 856.4123 | Standard non polar | 5862.689 |
RI01701775 | Citrusin II,2TMS,isomer#12 | JsmolCC1NC(=O)C2CCCN2C(=O)CNC(=O)CN([Si](C)(C)C)C(=O)C(CC2=C[NH]C3=CC=CC=C23)NC(=O)C(CC2=CC=CC=C2)N([Si](C)(C)C)C(=O)C2CCCN2C1=O | TMS | 856.4123 | Standard non polar | 5976.971 |
RI01701774 | Citrusin II,2TMS,isomer#11 | JsmolCC1NC(=O)C2CCCN2C(=O)CNC(=O)CN([Si](C)(C)C)C(=O)C(CC2=C[NH]C3=CC=CC=C23)N([Si](C)(C)C)C(=O)C(CC2=CC=CC=C2)NC(=O)C2CCCN2C1=O | TMS | 856.4123 | Standard non polar | 5953.942 |
RI01701773 | Citrusin II,2TMS,isomer#10 | JsmolCC1NC(=O)C2CCCN2C(=O)CNC(=O)CN([Si](C)(C)C)C(=O)C(CC2=CN([Si](C)(C)C)C3=CC=CC=C23)NC(=O)C(CC2=CC=CC=C2)NC(=O)C2CCCN2C1=O | TMS | 856.4123 | Standard non polar | 5906.8486 |
RI01701772 | Citrusin II,2TMS,isomer#9 | JsmolCC1NC(=O)C2CCCN2C(=O)CN([Si](C)(C)C)C(=O)CNC(=O)C(CC2=C[NH]C3=CC=CC=C23)NC(=O)C(CC2=CC=CC=C2)N([Si](C)(C)C)C(=O)C2CCCN2C1=O | TMS | 856.4123 | Standard non polar | 6031.8154 |
RI01701771 | Citrusin II,2TMS,isomer#8 | JsmolCC1NC(=O)C2CCCN2C(=O)CN([Si](C)(C)C)C(=O)CNC(=O)C(CC2=C[NH]C3=CC=CC=C23)N([Si](C)(C)C)C(=O)C(CC2=CC=CC=C2)NC(=O)C2CCCN2C1=O | TMS | 856.4123 | Standard non polar | 6014.3413 |
RI01701770 | Citrusin II,2TMS,isomer#7 | JsmolCC1NC(=O)C2CCCN2C(=O)CN([Si](C)(C)C)C(=O)CNC(=O)C(CC2=CN([Si](C)(C)C)C3=CC=CC=C23)NC(=O)C(CC2=CC=CC=C2)NC(=O)C2CCCN2C1=O | TMS | 856.4123 | Standard non polar | 5962.3813 |
RI01701769 | Citrusin II,2TMS,isomer#6 | JsmolCC1NC(=O)C2CCCN2C(=O)CN([Si](C)(C)C)C(=O)CN([Si](C)(C)C)C(=O)C(CC2=C[NH]C3=CC=CC=C23)NC(=O)C(CC2=CC=CC=C2)NC(=O)C2CCCN2C1=O | TMS | 856.4123 | Standard non polar | 6043.5728 |
RI01701768 | Citrusin II,2TMS,isomer#5 | JsmolCC1C(=O)N2CCCC2C(=O)NC(CC2=CC=CC=C2)C(=O)NC(CC2=C[NH]C3=CC=CC=C23)C(=O)NCC(=O)N([Si](C)(C)C)CC(=O)N2CCCC2C(=O)N1[Si](C)(C)C | TMS | 856.4123 | Standard non polar | 6001.1147 |
RI01701767 | Citrusin II,2TMS,isomer#4 | JsmolCC1C(=O)N2CCCC2C(=O)NC(CC2=CC=CC=C2)C(=O)NC(CC2=C[NH]C3=CC=CC=C23)C(=O)N([Si](C)(C)C)CC(=O)NCC(=O)N2CCCC2C(=O)N1[Si](C)(C)C | TMS | 856.4123 | Standard non polar | 5936.089 |
RI01701766 | Citrusin II,2TMS,isomer#3 | JsmolCC1C(=O)N2CCCC2C(=O)NC(CC2=CC=CC=C2)C(=O)NC(CC2=CN([Si](C)(C)C)C3=CC=CC=C23)C(=O)NCC(=O)NCC(=O)N2CCCC2C(=O)N1[Si](C)(C)C | TMS | 856.4123 | Standard non polar | 5853.8105 |
RI01701765 | Citrusin II,2TMS,isomer#2 | JsmolCC1C(=O)N2CCCC2C(=O)NC(CC2=CC=CC=C2)C(=O)N([Si](C)(C)C)C(CC2=C[NH]C3=CC=CC=C23)C(=O)NCC(=O)NCC(=O)N2CCCC2C(=O)N1[Si](C)(C)C | TMS | 856.4123 | Standard non polar | 5889.1143 |
RI01701764 | Citrusin II,2TMS,isomer#1 | JsmolCC1C(=O)N2CCCC2C(=O)N([Si](C)(C)C)C(CC2=CC=CC=C2)C(=O)NC(CC2=C[NH]C3=CC=CC=C23)C(=O)NCC(=O)NCC(=O)N2CCCC2C(=O)N1[Si](C)(C)C | TMS | 856.4123 | Standard non polar | 5916.0557 |
RI01701763 | Citrusin II,1TMS,isomer#6 | JsmolCC1NC(=O)C2CCCN2C(=O)CNC(=O)CNC(=O)C(CC2=C[NH]C3=CC=CC=C23)NC(=O)C(CC2=CC=CC=C2)N([Si](C)(C)C)C(=O)C2CCCN2C1=O | TMS | 784.3728 | Standard non polar | 5953.3687 |
RI01701762 | Citrusin II,1TMS,isomer#5 | JsmolCC1NC(=O)C2CCCN2C(=O)CNC(=O)CNC(=O)C(CC2=C[NH]C3=CC=CC=C23)N([Si](C)(C)C)C(=O)C(CC2=CC=CC=C2)NC(=O)C2CCCN2C1=O | TMS | 784.3728 | Standard non polar | 5902.2905 |
RI01701761 | Citrusin II,1TMS,isomer#4 | JsmolCC1NC(=O)C2CCCN2C(=O)CNC(=O)CNC(=O)C(CC2=CN([Si](C)(C)C)C3=CC=CC=C23)NC(=O)C(CC2=CC=CC=C2)NC(=O)C2CCCN2C1=O | TMS | 784.3728 | Standard non polar | 5895.051 |
RI01701760 | Citrusin II,1TMS,isomer#3 | JsmolCC1NC(=O)C2CCCN2C(=O)CNC(=O)CN([Si](C)(C)C)C(=O)C(CC2=C[NH]C3=CC=CC=C23)NC(=O)C(CC2=CC=CC=C2)NC(=O)C2CCCN2C1=O | TMS | 784.3728 | Standard non polar | 5946.4736 |
RI01701759 | Citrusin II,1TMS,isomer#2 | JsmolCC1NC(=O)C2CCCN2C(=O)CN([Si](C)(C)C)C(=O)CNC(=O)C(CC2=C[NH]C3=CC=CC=C23)NC(=O)C(CC2=CC=CC=C2)NC(=O)C2CCCN2C1=O | TMS | 784.3728 | Standard non polar | 6043.904 |
RI01701758 | Citrusin II,1TMS,isomer#1 | JsmolCC1C(=O)N2CCCC2C(=O)NC(CC2=CC=CC=C2)C(=O)NC(CC2=C[NH]C3=CC=CC=C23)C(=O)NCC(=O)NCC(=O)N2CCCC2C(=O)N1[Si](C)(C)C | TMS | 784.3728 | Standard non polar | 5918.4736 |
RI01701757 | Ergost-4-en-3-one,1TBDMS,isomer#1 | JsmolCC(C)C(C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(O[Si](C)(C)C(C)(C)C)=CC[C@]4(C)[C@H]3CC[C@@]21C | TBDMS | 512.4413 | Standard polar | 3585.6716 |
RI01701756 | Ergost-4-en-3-one,1TMS,isomer#1 | JsmolCC(C)C(C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(O[Si](C)(C)C)=CC[C@]4(C)[C@H]3CC[C@@]21C | TMS | 470.3944 | Standard polar | 3461.2278 |
RI01701755 | Ergost-4-en-3-one,1TBDMS,isomer#1 | JsmolCC(C)C(C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(O[Si](C)(C)C(C)(C)C)=CC[C@]4(C)[C@H]3CC[C@@]21C | TBDMS | 512.4413 | Semi standard non polar | 3513.9917 |
RI01701754 | Ergost-4-en-3-one,1TMS,isomer#1 | JsmolCC(C)C(C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(O[Si](C)(C)C)=CC[C@]4(C)[C@H]3CC[C@@]21C | TMS | 470.3944 | Semi standard non polar | 3282.8987 |
RI01701753 | Ergost-4-en-3-one,1TBDMS,isomer#1 | JsmolCC(C)C(C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(O[Si](C)(C)C(C)(C)C)=CC[C@]4(C)[C@H]3CC[C@@]21C | TBDMS | 512.4413 | Standard non polar | 3507.4128 |
RI01701752 | Ergost-4-en-3-one,1TMS,isomer#1 | JsmolCC(C)C(C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(O[Si](C)(C)C)=CC[C@]4(C)[C@H]3CC[C@@]21C | TMS | 470.3944 | Standard non polar | 3303.485 |