Record Information |
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Version | 1.0 |
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Created at | 2022-09-12 16:52:55 UTC |
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Updated at | 2022-09-12 16:52:55 UTC |
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NP-MRD ID | NP0330990 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | (6r,8r)-8-bromo-2-chloro-3,7,7-trimethyl-11-methylidenespiro[5.5]undec-2-ene |
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Description | Based on a literature review very few articles have been published on (6R,8R)-8-bromo-2-chloro-3,7,7-trimethyl-11-methylidenespiro[5.5]Undec-2-ene. |
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Structure | CC1=C(Cl)C[C@]2(CC1)C(=C)CC[C@@H](Br)C2(C)C InChI=1S/C15H22BrCl/c1-10-7-8-15(9-12(10)17)11(2)5-6-13(16)14(15,3)4/h13H,2,5-9H2,1,3-4H3/t13-,15-/m1/s1 |
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Synonyms | Not Available |
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Chemical Formula | C15H22BrCl |
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Average Mass | 317.7000 Da |
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Monoisotopic Mass | 316.05934 Da |
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IUPAC Name | (6R,8R)-8-bromo-2-chloro-3,7,7-trimethyl-11-methylidenespiro[5.5]undec-2-ene |
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Traditional Name | (6R,8R)-8-bromo-2-chloro-3,7,7-trimethyl-11-methylidenespiro[5.5]undec-2-ene |
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CAS Registry Number | Not Available |
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SMILES | CC1=C(Cl)C[C@]2(CC1)C(=C)CC[C@@H](Br)C2(C)C |
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InChI Identifier | InChI=1S/C15H22BrCl/c1-10-7-8-15(9-12(10)17)11(2)5-6-13(16)14(15,3)4/h13H,2,5-9H2,1,3-4H3/t13-,15-/m1/s1 |
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InChI Key | HJKIRZGFBITYIH-UKRRQHHQSA-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 | Not Available |
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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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