Record Information |
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Version | 1.0 |
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Created at | 2022-09-09 21:49:00 UTC |
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Updated at | 2022-09-09 21:49:00 UTC |
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NP-MRD ID | NP0290922 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | (2r,3r,6r)-6-[(1e,3e,5r,7e)-5-hydroxydeca-1,3,7-trien-1-yl]-1,2-dimethylpiperidin-3-ol |
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Description | (2R,3R,6R)-6-[(1E,3E,5R,7E)-5-hydroxydeca-1,3,7-trien-1-yl]-1,2-dimethylpiperidin-3-ol belongs to the class of organic compounds known as piperidines. Piperidines are compounds containing a piperidine ring, which is a saturated aliphatic six-member ring with one nitrogen atom and five carbon atoms. (2r,3r,6r)-6-[(1e,3e,5r,7e)-5-hydroxydeca-1,3,7-trien-1-yl]-1,2-dimethylpiperidin-3-ol is found in Bathiorhamnus cryptophorus. Based on a literature review very few articles have been published on (2R,3R,6R)-6-[(1E,3E,5R,7E)-5-hydroxydeca-1,3,7-trien-1-yl]-1,2-dimethylpiperidin-3-ol. |
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Structure | CC\C=C\C[C@@H](O)\C=C\C=C\[C@H]1CC[C@@H](O)[C@@H](C)N1C InChI=1S/C17H29NO2/c1-4-5-6-10-16(19)11-8-7-9-15-12-13-17(20)14(2)18(15)3/h5-9,11,14-17,19-20H,4,10,12-13H2,1-3H3/b6-5+,9-7+,11-8+/t14-,15+,16-,17-/m1/s1 |
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Synonyms | Not Available |
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Chemical Formula | C17H29NO2 |
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Average Mass | 279.4240 Da |
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Monoisotopic Mass | 279.21983 Da |
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IUPAC Name | (2R,3R,6R)-6-[(1E,3E,5R,7E)-5-hydroxydeca-1,3,7-trien-1-yl]-1,2-dimethylpiperidin-3-ol |
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Traditional Name | (2R,3R,6R)-6-[(1E,3E,5R,7E)-5-hydroxydeca-1,3,7-trien-1-yl]-1,2-dimethylpiperidin-3-ol |
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CAS Registry Number | Not Available |
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SMILES | CC\C=C\C[C@@H](O)\C=C\C=C\[C@H]1CC[C@@H](O)[C@@H](C)N1C |
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InChI Identifier | InChI=1S/C17H29NO2/c1-4-5-6-10-16(19)11-8-7-9-15-12-13-17(20)14(2)18(15)3/h5-9,11,14-17,19-20H,4,10,12-13H2,1-3H3/b6-5+,9-7+,11-8+/t14-,15+,16-,17-/m1/s1 |
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InChI Key | SSXVPIUBXLMMTO-WBUJTVECSA-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 piperidines. Piperidines are compounds containing a piperidine ring, which is a saturated aliphatic six-member ring with one nitrogen atom and five carbon atoms. |
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Kingdom | Organic compounds |
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Super Class | Organoheterocyclic compounds |
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Class | Piperidines |
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Sub Class | Not Available |
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Direct Parent | Piperidines |
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Alternative Parents | |
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Substituents | - Piperidine
- Tertiary aliphatic amine
- Tertiary amine
- Secondary alcohol
- 1,2-aminoalcohol
- Azacycle
- Organic nitrogen compound
- Organic oxygen compound
- Organopnictogen compound
- Hydrocarbon derivative
- Organooxygen compound
- Organonitrogen compound
- Amine
- Alcohol
- Aliphatic heteromonocyclic compound
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Molecular Framework | Aliphatic 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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