Record Information |
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Version | 1.0 |
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Created at | 2021-06-21 00:54:28 UTC |
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Updated at | 2021-06-30 00:19:14 UTC |
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NP-MRD ID | NP0043521 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | wilsonol E |
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Provided By | JEOL Database![JEOL Logo](/attributions/jeol_logo.png) |
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Description | wilsonol E is found in Annona muricata and Cinnamomum wilsonii. It was first documented in 2013 (Shu, P., et al.). |
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Structure | [H]O[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[C@]1([H])[C@]([H])(C([H])([H])[H])[C@]([H])(O[H])[C@@]([H])(O[H])C([H])([H])C1(C([H])([H])[H])C([H])([H])[H] InChI=1S/C13H26O3/c1-8(14)5-6-10-9(2)12(16)11(15)7-13(10,3)4/h8-12,14-16H,5-7H2,1-4H3/t8-,9-,10+,11-,12-/m0/s1 |
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Synonyms | Not Available |
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Chemical Formula | C13H26O3 |
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Average Mass | 230.3480 Da |
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Monoisotopic Mass | 230.18819 Da |
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IUPAC Name | (1S,2S,3S,4R)-4-[(3S)-3-hydroxybutyl]-3,5,5-trimethylcyclohexane-1,2-diol |
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Traditional Name | (1S,2S,3S,4R)-4-[(3S)-3-hydroxybutyl]-3,5,5-trimethylcyclohexane-1,2-diol |
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CAS Registry Number | Not Available |
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SMILES | [H]O[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[C@]1([H])[C@]([H])(C([H])([H])[H])[C@]([H])(O[H])[C@@]([H])(O[H])C([H])([H])C1(C([H])([H])[H])C([H])([H])[H] |
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InChI Identifier | InChI=1S/C13H26O3/c1-8(14)5-6-10-9(2)12(16)11(15)7-13(10,3)4/h8-12,14-16H,5-7H2,1-4H3/t8-,9-,10+,11-,12-/m0/s1 |
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InChI Key | QKVSBEFUISYFKH-SVNGYHJRSA-N |
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Experimental Spectra |
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| Spectrum Type | Description | Depositor Email | Depositor Organization | Depositor | Deposition Date | View |
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1D NMR | 13C NMR Spectrum (1D, 400 MHz, CD3OD, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, CD3OD, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 100 MHz, CD3OD, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 100 MHz, CD3OD, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 200 MHz, CD3OD, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 200 MHz, CD3OD, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 300 MHz, CD3OD, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 300 MHz, CD3OD, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 500 MHz, CD3OD, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, CD3OD, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 600 MHz, CD3OD, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, CD3OD, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 700 MHz, CD3OD, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 700 MHz, CD3OD, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 800 MHz, CD3OD, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 800 MHz, CD3OD, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 900 MHz, CD3OD, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 900 MHz, CD3OD, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 1000 MHz, CD3OD, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, CD3OD, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum |
| Predicted Spectra |
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| Not Available | 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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