| SpectraBase Compound ID | 5P7pzyBCR62 |
|---|---|
| InChI | InChI=1S/C96H120N6O9/c1-58-37-40-73(88(4,5)61-25-13-10-14-26-61)76(49-58)97-85(103)100-91-43-19-31-64(32-20-44-91)94(91)106-79-52-67-68(53-80(79)107-94)70-55-82-84(111-96(109-82)66-35-23-47-93(96,48-24-36-66)102-87(105)99-78-51-60(3)39-42-75(78)90(8,9)63-29-17-12-18-30-63)57-72(70)71-56-83-81(54-69(67)71)108-95(110-83)65-33-21-45-92(95,46-22-34-65)101-86(104)98-77-50-59(2)38-41-74(77)89(6,7)62-27-15-11-16-28-62/h10-18,25-30,52-60,64-66,73-78H,19-24,31-51H2,1-9H3,(H2,97,100,103)(H2,98,101,104)(H2,99,102,105)/t58-,59-,60-,64?,65?,66?,73-,74-,75-,76+,77+,78+,91-,92-,93-,94?,95?,96?/m1/s1 |
| InChIKey | TXNFTSUBLHRGDN-YMUJAVKHSA-N |
| Mol Weight | 1502.0 g/mol |
| Molecular Formula | C96H120N6O9 |
| Exact Mass | 1500.911679 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JfnvbTEtY8d |
|---|---|
| Name | TXNFTSUBLHRGDN-YMUJAVKHSA-N |
| Compound Number | 19H |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C96H120N6O9 |
| InChI | InChI=1S/C96H120N6O9/c1-58-37-40-73(88(4,5)61-25-13-10-14-26-61)76(49-58)97-85(103)100-91-43-19-31-64(32-20-44-91)94(91)106-79-52-67-68(53-80(79)107-94)70-55-82-84(111-96(109-82)66-35-23-47-93(96,48-24-36-66)102-87(105)99-78-51-60(3)39-42-75(78)90(8,9)63-29-17-12-18-30-63)57-72(70)71-56-83-81(54-69(67)71)108-95(110-83)65-33-21-45-92(95,46-22-34-65)101-86(104)98-77-50-59(2)38-41-74(77)89(6,7)62-27-15-11-16-28-62/h10-18,25-30,52-60,64-66,73-78H,19-24,31-51H2,1-9H3,(H2,97,100,103)(H2,98,101,104)(H2,99,102,105)/t58-,59-,60-,64?,65?,66?,73-,74-,75-,76+,77+,78+,91-,92-,93-,94?,95?,96?/m1/s1 |
| InChIKey | TXNFTSUBLHRGDN-YMUJAVKHSA-N |
| Literature Reference Author | M.C.SCHOPOHL,A.FAUST,D.MIRK,R.FROEHLICH,O.KATAEVA,S.R.WALDVO GEL |
| Literature Reference Citation | EUR.J.ORG.CHEM.,2987(2005) |
| Molecular Weight | 1502.044 g/mol |
| Sample ID | 29785 |
| Solvent | CDCl3 |