| Record Information |
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| Version | 2.0 |
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| Created at | 2022-09-10 11:20:00 UTC |
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| Updated at | 2022-09-10 11:20:00 UTC |
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| NP-MRD ID | NP0299486 |
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| Secondary Accession Numbers | None |
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| Natural Product Identification |
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| Common Name | (7s)-7-hydroxy-1-[(2r)-2-(pyridin-3-yl)pyrrolidin-1-yl]octan-1-one |
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| Description | (7S)-7-hydroxy-1-[(2R)-2-(pyridin-3-yl)pyrrolidin-1-yl]octan-1-one belongs to the class of organic compounds known as pyrrolidinylpyridines. Pyrrolidinylpyridines are compounds containing a pyrrolidinylpyridine ring system, which consists of a pyrrolidine ring linked to a pyridine ring. (7s)-7-hydroxy-1-[(2r)-2-(pyridin-3-yl)pyrrolidin-1-yl]octan-1-one is found in Nicotiana tabacum. Based on a literature review very few articles have been published on (7S)-7-hydroxy-1-[(2R)-2-(pyridin-3-yl)pyrrolidin-1-yl]octan-1-one. |
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| Structure | C[C@H](O)CCCCCC(=O)N1CCC[C@@H]1C1=CC=CN=C1 InChI=1S/C17H26N2O2/c1-14(20)7-3-2-4-10-17(21)19-12-6-9-16(19)15-8-5-11-18-13-15/h5,8,11,13-14,16,20H,2-4,6-7,9-10,12H2,1H3/t14-,16+/m0/s1 |
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| Synonyms | Not Available |
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| Chemical Formula | C17H26N2O2 |
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| Average Mass | 290.4070 Da |
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| Monoisotopic Mass | 290.19943 Da |
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| IUPAC Name | (7S)-7-hydroxy-1-[(2R)-2-(pyridin-3-yl)pyrrolidin-1-yl]octan-1-one |
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| Traditional Name | (7S)-7-hydroxy-1-[(2R)-2-(pyridin-3-yl)pyrrolidin-1-yl]octan-1-one |
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| CAS Registry Number | Not Available |
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| SMILES | C[C@H](O)CCCCCC(=O)N1CCC[C@@H]1C1=CC=CN=C1 |
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| InChI Identifier | InChI=1S/C17H26N2O2/c1-14(20)7-3-2-4-10-17(21)19-12-6-9-16(19)15-8-5-11-18-13-15/h5,8,11,13-14,16,20H,2-4,6-7,9-10,12H2,1H3/t14-,16+/m0/s1 |
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| InChI Key | AAIYOWLBULBBDR-GOEBONIOSA-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, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 100 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 252 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 50 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 200 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 75 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 300 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 101 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 126 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 151 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 176 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 700 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 201 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 800 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 226 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 900 MHz, H2O, 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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| Description | Belongs to the class of organic compounds known as pyrrolidinylpyridines. Pyrrolidinylpyridines are compounds containing a pyrrolidinylpyridine ring system, which consists of a pyrrolidine ring linked to a pyridine ring. |
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| Kingdom | Organic compounds |
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| Super Class | Organoheterocyclic compounds |
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| Class | Pyridines and derivatives |
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| Sub Class | Pyrrolidinylpyridines |
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| Direct Parent | Pyrrolidinylpyridines |
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| Alternative Parents | |
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| Substituents | - Pyrrolidinylpyridine
- Alkaloid or derivatives
- N-acylpyrrolidine
- Pyrrolidine
- Tertiary carboxylic acid amide
- Heteroaromatic compound
- Carboxamide group
- Secondary alcohol
- Carboxylic acid derivative
- Azacycle
- Organic oxide
- Organopnictogen compound
- Organic oxygen compound
- Organooxygen compound
- Organonitrogen compound
- Organic nitrogen compound
- Alcohol
- Carbonyl group
- Hydrocarbon derivative
- Aromatic heteromonocyclic compound
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| Molecular Framework | Aromatic heteromonocyclic compounds |
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| External Descriptors | Not Available |
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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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