| SpectraBase Compound ID | 9ku84X598I8 |
|---|---|
| InChI | InChI=1S/C58H70N9O13PS/c1-36(2)67(37(3)4)81(77-29-13-28-59)80-48-31-52(66-34-40(7)54(69)63-57(66)71)78-49(48)32-60-55(64-82(72,73)46-26-16-38(5)17-27-46)61-47-30-51(65-33-39(6)53(68)62-56(65)70)79-50(47)35-76-58(41-14-11-10-12-15-41,42-18-22-44(74-8)23-19-42)43-20-24-45(75-9)25-21-43/h10-12,14-27,33-34,36-37,47-52H,13,29-32,35H2,1-9H3,(H2,60,61,64)(H,62,68,70)(H,63,69,71)/t47-,48-,49+,50+,51+,52+,81?/m1/s1 |
| InChIKey | VVQCDEDCDOAQIB-MSIGSJKMSA-N |
| Mol Weight | 1164.3 g/mol |
| Molecular Formula | C58H70N9O13PS |
| Exact Mass | 1163.455142 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1oYeBkeBmg4 |
|---|---|
| Name | ISOMER-#2 |
| Compound Number | 7C |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C58H70N9O13PS |
| InChI | InChI=1S/C58H70N9O13PS/c1-36(2)67(37(3)4)81(77-29-13-28-59)80-48-31-52(66-34-40(7)54(69)63-57(66)71)78-49(48)32-60-55(64-82(72,73)46-26-16-38(5)17-27-46)61-47-30-51(65-33-39(6)53(68)62-56(65)70)79-50(47)35-76-58(41-14-11-10-12-15-41,42-18-22-44(74-8)23-19-42)43-20-24-45(75-9)25-21-43/h10-12,14-27,33-34,36-37,47-52H,13,29-32,35H2,1-9H3,(H2,60,61,64)(H,62,68,70)(H,63,69,71)/t47-,48-,49+,50+,51+,52+,81?/m1/s1 |
| InChIKey | VVQCDEDCDOAQIB-MSIGSJKMSA-N |
| Literature Reference Author | F.VANDENDRIESSCHE,A.VANAERSCHOT,M.VOORTMANS,G.JANSSEN,R.BUSS ON,A.VANOVERBEKE,W.V |
| Literature Reference Citation | J.CHEM.SOC.PERKIN-1,1567(1993) |
| Literature Reference DOI | 10.1039/p19930001567 |
| Solvent | CDCl3 |
| Source File Reference | UWCS24067 |