![3,6,9,12,15,18,21,29,32,35,38,41,44,47-Tetradecaoxa-53,54-diazatricyclo[47.3.1.123,27]tetrapentaconta-1(53),23,25,27(54),49,51-hexaene, 24,52-bis(4,5-dihydro-4,4-dimethyl-2-oxazolyl)-](/api/spectrum/4UUnwC1iokV/structure.png?h=300&w=458 "3,6,9,12,15,18,21,29,32,35,38,41,44,47-Tetradecaoxa-53,54-diazatricyclo[47.3.1.123,27]tetrapentaconta-1(53),23,25,27(54),49,51-hexaene, 24,52-bis(4,5-dihydro-4,4-dimethyl-2-oxazolyl)-")
| SpectraBase Compound ID | NlgafmZD9h |
|---|---|
| InChI | InChI=1S/C48H76N4O16/c1-47(2)37-67-45(51-47)41-7-5-39-33-63-29-25-59-21-17-55-13-9-53-10-14-56-18-22-60-26-30-64-34-40-6-8-42(46-52-48(3,4)38-68-46)44(50-40)36-66-32-28-62-24-20-58-16-12-54-11-15-57-19-23-61-27-31-65-35-43(41)49-39/h5-8H,9-38H2,1-4H3 |
| InChIKey | UHGBBSYJBCQVTA-UHFFFAOYSA-N |
| Mol Weight | 965.1 g/mol |
| Molecular Formula | C48H76N4O16 |
| Exact Mass | 964.525632 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4UUnwC1iokV |
|---|---|
| Name | 3,6,9,12,15,18,21,29,32,35,38,41,44,47-Tetradecaoxa-53,54-diazatricyclo[47.3.1.123,27]tetrapentaconta-1(53),23,25,27(54),49,51-hexaene, 24,52-bis(4,5-dihydro-4,4-dimethyl-2-oxazolyl)- |
| CAS Registry Number | 87390-10-1 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C48H76N4O16 |
| InChI | InChI=1S/C48H76N4O16/c1-47(2)37-67-45(51-47)41-7-5-39-33-63-29-25-59-21-17-55-13-9-53-10-14-56-18-22-60-26-30-64-34-40-6-8-42(46-52-48(3,4)38-68-46)44(50-40)36-66-32-28-62-24-20-58-16-12-54-11-15-57-19-23-61-27-31-65-35-43(41)49-39/h5-8H,9-38H2,1-4H3 |
| InChIKey | UHGBBSYJBCQVTA-UHFFFAOYSA-N |
| Molecular Weight | 965.148 g/mol |
| SMILES | C1(=NC(C)(C)CO1)c1c2nc(cc1)COCCOCCOCCOCCOCCOCCOCc1ccc(C3=NC(C)(C)CO3)c(COCCOCCOCCOCCOCCOCCOC2)n1 |
| SPLASH | splash10-00kb-9060000000-08c1b9224b6f529d2fb8 |
| Source of Spectrum | F-39-2007-0 |
| Synonyms | Bis(5,5-dimethyl isoxazolin-2-yl pyridine derivative of 42-crown-14 |
| Wiley ID | 1418290 |