![(E,E),(E,E)-(1S,5R,18S,22S,26R,39S)-N,N'-Benzoyl-3,7,10,13,16,24,28.31,34,37,43,44,45,46-tetradecaoxa-20,41-diazatetracyclo[42.1(1,5).1(18.22).1(22,26).1(1,39)]hexatetracontane](/api/spectrum/J7m29juuLZF/structure.png?h=300&w=458 "(E,E),(E,E)-(1S,5R,18S,22S,26R,39S)-N,N'-Benzoyl-3,7,10,13,16,24,28.31,34,37,43,44,45,46-tetradecaoxa-20,41-diazatetracyclo[42.1(1,5).1(18.22).1(22,26).1(1,39)]hexatetracontane")
| SpectraBase Compound ID | 6VPA39cD8GG |
|---|---|
| InChI | InChI=1S/C44H62N2O16/c47-41(35-7-3-1-4-8-35)45-23-37-25-53-19-15-49-11-13-52-18-22-56-28-40-30-58-34-44(62-40)32-46(42(48)36-9-5-2-6-10-36)24-38(60-44)26-54-20-16-50-12-14-51-17-21-55-27-39-29-57-33-43(31-45,59-37)61-39/h1-10,37-40H,11-34H2/t37-,38?,39+,40+,43-,44-/m0/s1 |
| InChIKey | YFLRVANTFJPCHO-XDBOWTGISA-N |
| Mol Weight | 875.0 g/mol |
| Molecular Formula | C44H62N2O16 |
| Exact Mass | 874.409934 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | J7m29juuLZF |
|---|---|
| Name | (E,E),(E,E)-(1S,5R,18S,22S,26R,39S)-N,N'-Benzoyl-3,7,10,13,16,24,28.31,34,37,43,44,45,46-tetradecaoxa-20,41-diazatetracyclo[42.1(1,5).1(18.22).1(22,26).1(1,39)]hexatetracontane |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C44H62N2O16 |
| InChI | InChI=1S/C44H62N2O16/c47-41(35-7-3-1-4-8-35)45-23-37-25-53-19-15-49-11-13-52-18-22-56-28-40-30-58-34-44(62-40)32-46(42(48)36-9-5-2-6-10-36)24-38(60-44)26-54-20-16-50-12-14-51-17-21-55-27-39-29-57-33-43(31-45,59-37)61-39/h1-10,37-40H,11-34H2/t37-,38?,39+,40+,43-,44-/m0/s1 |
| InChIKey | YFLRVANTFJPCHO-XDBOWTGISA-N |
| Molecular Weight | 874.978 g/mol |
| SMILES | C(N1C[C@]23O[C@](COCCOCCOCCOC[C@@]4(CN(C[C@@]5(O[C@](COCCOCCOCCOCC(O3)C1)(COC5)[H])O4)C(=O)c1ccccc1)[H])(COC2)[H])(=O)c1ccccc1 |
| SPLASH | splash10-0a4i-1933110000-7e4ab559b0c9691349ec |
| Source of Spectrum | QC-9-4261-12 |
| Wiley ID | 870982 |