Record Information |
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Version | 1.0 |
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Created at | 2021-01-05 20:37:56 UTC |
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Updated at | 2021-07-15 17:07:05 UTC |
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NP-MRD ID | NP0010789 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | N-trans-cinnamoyl 2-amino-3a,4,5,6,7,8,9,10,11,12,13,13a-dodecahydrocyclododeca[d]oxazole |
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Provided By | NPAtlas |
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Description | N-trans-cinnamoyl 2-amino-3a,4,5,6,7,8,9,10,11,12,13,13a-dodecahydrocyclododeca[d]oxazole is found in Streptomyces sp. It was first documented in 2013 (PMID: 22548364). Based on a literature review very few articles have been published on N-trans-cinnamoyl 2-amino-3a,4,5,6,7,8,9,10,11,12,13,13a-dodecahydrocyclododeca[d]oxazole. |
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Structure | [H]N(C(=O)C(\[H])=C(/[H])C1=C([H])C([H])=C([H])C([H])=C1[H])C1=N[C@]2([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[C@@]2([H])O1 InChI=1S/C22H30N2O2/c25-21(17-16-18-12-8-7-9-13-18)24-22-23-19-14-10-5-3-1-2-4-6-11-15-20(19)26-22/h7-9,12-13,16-17,19-20H,1-6,10-11,14-15H2,(H,23,24,25)/b17-16+/t19-,20-/m1/s1 |
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Synonyms | Value | Source |
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(2E)-N-[(3AR,13ar)-3ah,4H,5H,6H,7H,8H,9H,10H,11H,12H,13H,13ah-cyclododeca[D][1,3]oxazol-2-yl]-3-phenylprop-2-enimidate | Generator |
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Chemical Formula | C22H30N2O2 |
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Average Mass | 354.4940 Da |
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Monoisotopic Mass | 354.23073 Da |
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IUPAC Name | (2E)-N-[(3aR,13aR)-3aH,4H,5H,6H,7H,8H,9H,10H,11H,12H,13H,13aH-cyclododeca[d][1,3]oxazol-2-yl]-3-phenylprop-2-enamide |
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Traditional Name | (2E)-N-[(3aR,13aR)-3aH,4H,5H,6H,7H,8H,9H,10H,11H,12H,13H,13aH-cyclododeca[d][1,3]oxazol-2-yl]-3-phenylprop-2-enamide |
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CAS Registry Number | Not Available |
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SMILES | O=C(NC1=N[C@@H]2CCCCCCCCCC[C@H]2O1)\C=C\C1=CC=CC=C1 |
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InChI Identifier | InChI=1S/C22H30N2O2/c25-21(17-16-18-12-8-7-9-13-18)24-22-23-19-14-10-5-3-1-2-4-6-11-15-20(19)26-22/h7-9,12-13,16-17,19-20H,1-6,10-11,14-15H2,(H,23,24,25)/b17-16+/t19-,20-/m1/s1 |
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InChI Key | XZORUNHMSUAKIS-YBNLGUDHSA-N |
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Experimental Spectra |
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| Not Available | Predicted Spectra |
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| Spectrum Type | Description | Depositor ID | Depositor Organization | Depositor | Deposition Date | View |
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1D NMR | 13C NMR Spectrum (1D, 25 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 100 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 252 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 50 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 200 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 75 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 300 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 101 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 126 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 151 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 176 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 700 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 201 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 800 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 226 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 900 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum |
| Chemical Shift Submissions |
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| Not Available | Species |
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Species of Origin | |
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Chemical Taxonomy |
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Classification | Not classified |
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Physical Properties |
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State | Not Available |
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Experimental Properties | Property | Value | Reference |
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Melting Point | Not Available | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | Not Available | Not Available | LogP | Not Available | Not Available |
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Predicted Properties | |
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