| SpectraBase Compound ID | AaRI6tphUpP |
|---|---|
| InChI | InChI=1S/C88H108N4O12/c1-53(2)37-65-69-41-74(82(45-77(69)97-13)102-50-86(94)90-58(10)62-31-23-18-24-32-62)67(39-55(5)6)71-43-76(84(47-79(71)99-15)104-52-88(96)92-60(12)64-35-27-20-28-36-64)68(40-56(7)8)72-44-75(83(48-80(72)100-16)103-51-87(95)91-59(11)63-33-25-19-26-34-63)66(38-54(3)4)70-42-73(65)81(46-78(70)98-14)101-49-85(93)89-57(9)61-29-21-17-22-30-61/h17-36,41-48,53-60,65-68H,37-40,49-52H2,1-16H3,(H,89,93)(H,90,94)(H,91,95)(H,92,96)/t57-,58-,59+,60+,65?,66?,67?,68? |
| InChIKey | QEUBCWVRPORGEM-PJXGSSCLSA-N |
| Mol Weight | 1413.8 g/mol |
| Molecular Formula | C88H108N4O12 |
| Exact Mass | 1412.796375 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LfylutIMr9j |
|---|---|
| Name | QEUBCWVRPORGEM-PJXGSSCLSA-N |
| Compound Number | 3A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C88H108N4O12 |
| InChI | InChI=1S/C88H108N4O12/c1-53(2)37-65-69-41-74(82(45-77(69)97-13)102-50-86(94)90-58(10)62-31-23-18-24-32-62)67(39-55(5)6)71-43-76(84(47-79(71)99-15)104-52-88(96)92-60(12)64-35-27-20-28-36-64)68(40-56(7)8)72-44-75(83(48-80(72)100-16)103-51-87(95)91-59(11)63-33-25-19-26-34-63)66(38-54(3)4)70-42-73(65)81(46-78(70)98-14)101-49-85(93)89-57(9)61-29-21-17-22-30-61/h17-36,41-48,53-60,65-68H,37-40,49-52H2,1-16H3,(H,89,93)(H,90,94)(H,91,95)(H,92,96)/t57-,58-,59+,60+,65?,66?,67?,68? |
| InChIKey | QEUBCWVRPORGEM-PJXGSSCLSA-N |
| Literature Reference Author | M.KLAES,B.NEUMANN,H.G.STAMMLER,J.MATTAY |
| Literature Reference Citation | EUR.J.ORG.CHEM.,864(2005) |
| Molecular Weight | 1413.845 g/mol |
| Sample ID | 39058 |
| Solvent | CDCl3 |