![(E,E),(E,E)-(1S,5R,15S,19S,23R,33S)-N,N'-Benzoyl-3,7,10,13,21,25,28.31,37,38,39,40-dodecaoxa-17,35-diazatetracyclo[36.1(1,5).1(15.19).1(19,23).1(1,33)]tetracontane](/api/spectrum/3jSdDiA6Z7v/structure.png?h=300&w=458 "(E,E),(E,E)-(1S,5R,15S,19S,23R,33S)-N,N'-Benzoyl-3,7,10,13,21,25,28.31,37,38,39,40-dodecaoxa-17,35-diazatetracyclo[36.1(1,5).1(15.19).1(19,23).1(1,33)]tetracontane")
| SpectraBase Compound ID | 853RCd05NKq |
|---|---|
| InChI | InChI=1S/C40H54N2O14/c43-37(31-7-3-1-4-8-31)41-19-33-21-47-15-11-45-14-18-50-24-36-26-52-30-40(56-36)28-42(38(44)32-9-5-2-6-10-32)20-34(54-40)22-48-16-12-46-13-17-49-23-35-25-51-29-39(27-41,53-33)55-35/h1-10,33-36H,11-30H2/t33-,34+,35-,36+,39-,40-/m0/s1 |
| InChIKey | SAFNEXNGEUQMTG-KXSMVYGASA-N |
| Mol Weight | 786.9 g/mol |
| Molecular Formula | C40H54N2O14 |
| Exact Mass | 786.357504 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3jSdDiA6Z7v |
|---|---|
| Name | (E,E),(E,E)-(1S,5R,15S,19S,23R,33S)-N,N'-Benzoyl-3,7,10,13,21,25,28.31,37,38,39,40-dodecaoxa-17,35-diazatetracyclo[36.1(1,5).1(15.19).1(19,23).1(1,33)]tetracontane |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C40H54N2O14 |
| InChI | InChI=1S/C40H54N2O14/c43-37(31-7-3-1-4-8-31)41-19-33-21-47-15-11-45-14-18-50-24-36-26-52-30-40(56-36)28-42(38(44)32-9-5-2-6-10-32)20-34(54-40)22-48-16-12-46-13-17-49-23-35-25-51-29-39(27-41,53-33)55-35/h1-10,33-36H,11-30H2/t33-,34+,35-,36+,39-,40-/m0/s1 |
| InChIKey | SAFNEXNGEUQMTG-KXSMVYGASA-N |
| Molecular Weight | 786.872 g/mol |
| SMILES | C(N1C[C@]23O[C@](COCCOCCOC[C@@]4(CN(C[C@@]5(O[C@@](COCCOCCOC[C@](O3)(C1)[H])(COC5)[H])O4)C(=O)c1ccccc1)[H])(COC2)[H])(=O)c1ccccc1 |
| SPLASH | splash10-0a4i-3911001400-bb904f952de1287db93f |
| Source of Spectrum | QC-9-4261-11 |
| Wiley ID | 870983 |