Record Information |
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Version | 1.0 |
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Created at | 2021-06-19 17:46:27 UTC |
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Updated at | 2021-06-29 23:50:51 UTC |
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NP-MRD ID | NP0025724 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Isopalisol |
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Provided By | JEOL Database |
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Description | Isopalisol is found in Laurencia cf. palisada, Laurencia luzonensis, Laurencia palisada and Laurencia snackeyi. It was first documented in 2001 (Kuniyoshi, M., et al.). |
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Structure | [H]O[C@@]([H])(C(=C(/[H])C([H])([H])[C@]1([H])C(=C([H])[H])C([H])([H])C([H])=C([H])C1(C([H])([H])[H])C([H])([H])[H])\C([H])([H])[H])C([H])([H])Br InChI=1S/C15H23BrO/c1-11-6-5-9-15(3,4)13(11)8-7-12(2)14(17)10-16/h5,7,9,13-14,17H,1,6,8,10H2,2-4H3/b12-7+/t13-,14-/m1/s1 |
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Synonyms | Not Available |
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Chemical Formula | C15H23BrO |
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Average Mass | 299.2520 Da |
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Monoisotopic Mass | 298.09323 Da |
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IUPAC Name | (2S,3E)-1-bromo-5-[(1R)-2,2-dimethyl-6-methylidenecyclohex-3-en-1-yl]-3-methylpent-3-en-2-ol |
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Traditional Name | (2S,3E)-1-bromo-5-[(1R)-2,2-dimethyl-6-methylidenecyclohex-3-en-1-yl]-3-methylpent-3-en-2-ol |
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CAS Registry Number | Not Available |
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SMILES | [H]O[C@@]([H])(C(=C(/[H])C([H])([H])[C@]1([H])C(=C([H])[H])C([H])([H])C([H])=C([H])C1(C([H])([H])[H])C([H])([H])[H])\C([H])([H])[H])C([H])([H])Br |
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InChI Identifier | InChI=1S/C15H23BrO/c1-11-6-5-9-15(3,4)13(11)8-7-12(2)14(17)10-16/h5,7,9,13-14,17H,1,6,8,10H2,2-4H3/b12-7+/t13-,14-/m1/s1 |
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InChI Key | PSLQVGUCVAPCDK-XCEACWERSA-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, 500 MHz, CDCl3, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, CDCl3, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 100 MHz, CDCl3, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 100 MHz, CDCl3, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 200 MHz, CDCl3, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 200 MHz, CDCl3, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 300 MHz, CDCl3, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 300 MHz, CDCl3, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 400 MHz, CDCl3, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, CDCl3, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 600 MHz, CDCl3, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, CDCl3, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 700 MHz, CDCl3, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 700 MHz, CDCl3, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 800 MHz, CDCl3, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 800 MHz, CDCl3, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 900 MHz, CDCl3, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 900 MHz, CDCl3, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 1000 MHz, CDCl3, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, CDCl3, 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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