Record Information |
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Version | 2.0 |
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Created at | 2021-06-21 00:54:40 UTC |
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Updated at | 2021-06-30 00:19:15 UTC |
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NP-MRD ID | NP0043526 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | wilsonol K |
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Provided By | JEOL Database |
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Description | wilsonol K is found in Cinnamomum wilsonii. It was first documented in 2013 (Shu, P., et al.). Based on a literature review very few articles have been published on (1S)-4-[(1E,3S)-3-hydroxybut-1-en-1-yl]-3-(hydroxymethyl)-5,5-dimethylcyclohex-3-en-1-ol. |
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Structure | [H]OC([H])([H])C1=C(\C([H])=C(/[H])[C@@]([H])(O[H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[C@]([H])(O[H])C1([H])[H] InChI=1S/C13H22O3/c1-9(15)4-5-12-10(8-14)6-11(16)7-13(12,2)3/h4-5,9,11,14-16H,6-8H2,1-3H3/b5-4+/t9-,11+/m0/s1 |
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Synonyms | Not Available |
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Chemical Formula | C13H22O3 |
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Average Mass | 226.3160 Da |
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Monoisotopic Mass | 226.15689 Da |
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IUPAC Name | (1S)-4-[(1E,3S)-3-hydroxybut-1-en-1-yl]-3-(hydroxymethyl)-5,5-dimethylcyclohex-3-en-1-ol |
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Traditional Name | (1S)-4-[(1E,3S)-3-hydroxybut-1-en-1-yl]-3-(hydroxymethyl)-5,5-dimethylcyclohex-3-en-1-ol |
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CAS Registry Number | Not Available |
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SMILES | [H]OC([H])([H])C1=C(\C([H])=C(/[H])[C@@]([H])(O[H])C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[C@]([H])(O[H])C1([H])[H] |
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InChI Identifier | InChI=1S/C13H22O3/c1-9(15)4-5-12-10(8-14)6-11(16)7-13(12,2)3/h4-5,9,11,14-16H,6-8H2,1-3H3/b5-4+/t9-,11+/m0/s1 |
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InChI Key | SUEHQRQENOZFTJ-ALWPCLGOSA-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 | Species Name | Source | Reference |
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Cinnamomum wilsonii | JEOL database | - Shu, P., et al, J. Nat. Prod. 76, 1303 (2013)
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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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