SpectraBase Compound ID | FthF6UDm6pd |
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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?/m0/s1 |
InChIKey | QEUBCWVRPORGEM-CWDYJEFRSA-N |
Mol Weight | 1413.8 g/mol |
Molecular Formula | C88H108N4O12 |
Exact Mass | 1412.796375 g/mol |
SpectraBase Spectrum ID | tF8dlJTXcY |
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Name | QEUBCWVRPORGEM-CWDYJEFRSA-N |
Compound Number | 3B |
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?/m0/s1 |
InChIKey | QEUBCWVRPORGEM-CWDYJEFRSA-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 | 39059 |
Solvent | CDCl3 |