| SpectraBase Compound ID | ELLsMdN2zh5 |
|---|---|
| InChI | InChI=1S/C57H72N5O14PS2/c1-36(2)30-45(58)50(65)62-46(31-37-16-10-9-11-17-37)51(66)60-33-48(63)59-34-49(64)61-47(52(67)76-77(71,73-26-28-78-53(68)56(3,4)5)74-27-29-79-54(69)57(6,7)8)32-38-22-24-39(25-23-38)75-55(70)72-35-44-42-20-14-12-18-40(42)41-19-13-15-21-43(41)44/h9-25,36,44-47H,26-35,58H2,1-8H3,(H,59,63)(H,60,66)(H,61,64)(H,62,65) |
| InChIKey | CEKZRTGXHIBGMI-UHFFFAOYSA-N |
| Mol Weight | 1146.3 g/mol |
| Molecular Formula | C57H72N5O14PS2 |
| Exact Mass | 1145.425481 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FkNBkyEEkj9 |
|---|---|
| Name | CEKZRTGXHIBGMI-UHFFFAOYSA-N |
| Compound Number | 4B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C57H72N5O14PS2 |
| InChI | InChI=1S/C57H72N5O14PS2/c1-36(2)30-45(58)50(65)62-46(31-37-16-10-9-11-17-37)51(66)60-33-48(63)59-34-49(64)61-47(52(67)76-77(71,73-26-28-78-53(68)56(3,4)5)74-27-29-79-54(69)57(6,7)8)32-38-22-24-39(25-23-38)75-55(70)72-35-44-42-20-14-12-18-40(42)41-19-13-15-21-43(41)44/h9-25,36,44-47H,26-35,58H2,1-8H3,(H,59,63)(H,60,66)(H,61,64)(H,62,65) |
| InChIKey | CEKZRTGXHIBGMI-UHFFFAOYSA-N |
| Literature Reference Author | C.MATHE,C.PERIGAUD,G.GOSSELIN,J.L.IMBACH |
| Literature Reference Citation | J.ORG.CHEM.,63,8547(1998) |
| Literature Reference DOI | 10.1021/jo980437d |
| Solvent | DMSO-D6 |
| Source File Reference | UWMZ26116 |