Record Information |
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Version | 1.0 |
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Created at | 2020-12-09 01:29:23 UTC |
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Updated at | 2021-07-15 16:47:50 UTC |
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NP-MRD ID | NP0003954 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | (-)-3-(E)-bromomethylidene-10 beta-bromo-beta-chamigrene |
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Provided By | NPAtlas |
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Description | (-)-3-(E)-bromomethylidene-10 beta-bromo-beta-chamigrene is found in Laurencia dendroidea and Unknown-fungus sp.. It was first documented in 2001 (PMID: 11754610). Based on a literature review very few articles have been published on (3E,6S,8R)-8-bromo-3-(bromomethylidene)-7,7-dimethyl-11-methylidenespiro[5.5]Undec-1-ene. |
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Structure | [H]C([H])=C1C([H])([H])C([H])([H])[C@@]([H])(Br)C(C([H])([H])[H])(C([H])([H])[H])[C@@]11C([H])=C([H])\C(=C(/[H])Br)C([H])([H])C1([H])[H] InChI=1S/C15H20Br2/c1-11-4-5-13(17)14(2,3)15(11)8-6-12(10-16)7-9-15/h6,8,10,13H,1,4-5,7,9H2,2-3H3/b12-10-/t13-,15-/m1/s1 |
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Synonyms | Value | Source |
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(+)-3-(Z)-Bromomethylidene-10 beta-bromo-beta-chamigrene | MeSH | (-)-3-(e)-Bromomethylidene-10 beta-bromo-beta-chamigrene | MeSH | 3-Bromomethylidene-10-bromochamigren | MeSH |
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Chemical Formula | C15H20Br2 |
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Average Mass | 360.1330 Da |
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Monoisotopic Mass | 357.99318 Da |
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IUPAC Name | (3E,6S,8R)-8-bromo-3-(bromomethylidene)-7,7-dimethyl-11-methylidenespiro[5.5]undec-1-ene |
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Traditional Name | (3E,6S,8R)-8-bromo-3-(bromomethylidene)-7,7-dimethyl-11-methylidenespiro[5.5]undec-1-ene |
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CAS Registry Number | Not Available |
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SMILES | CC1(C)[C@H](Br)CCC(=C)[C@@]11CC\C(=C/Br)C=C1 |
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InChI Identifier | InChI=1S/C15H20Br2/c1-11-4-5-13(17)14(2,3)15(11)8-6-12(10-16)7-9-15/h6,8,10,13H,1,4-5,7,9H2,2-3H3/b12-10-/t13-,15-/m1/s1 |
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InChI Key | TZEMMCWTQQXORZ-DUAKTUNXSA-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, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 100 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 252 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 50 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 200 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 75 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 300 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 101 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 126 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 151 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 176 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 700 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 201 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 800 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 226 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 900 MHz, D2O, 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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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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