Record Information |
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Version | 2.0 |
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Created at | 2022-09-06 19:56:17 UTC |
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Updated at | 2022-09-06 19:56:17 UTC |
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NP-MRD ID | NP0236920 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | (2r,3r,5r)-5-[(1r)-1-bromoprop-2-yn-1-yl]-2-{[(2s,3s,5s,6r)-3,5-dibromo-6-ethyloxan-2-yl]methyl}oxolan-3-ol |
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Description | (2R,3R,5R)-5-[(1R)-1-bromoprop-2-yn-1-yl]-2-{[(2S,3S,5S,6R)-3,5-dibromo-6-ethyloxan-2-yl]methyl}oxolan-3-ol belongs to the class of organic compounds known as c-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a C-glycosidic bond. (2r,3r,5r)-5-[(1r)-1-bromoprop-2-yn-1-yl]-2-{[(2s,3s,5s,6r)-3,5-dibromo-6-ethyloxan-2-yl]methyl}oxolan-3-ol is found in Laurencia dendroidea. Based on a literature review very few articles have been published on (2R,3R,5R)-5-[(1R)-1-bromoprop-2-yn-1-yl]-2-{[(2S,3S,5S,6R)-3,5-dibromo-6-ethyloxan-2-yl]methyl}oxolan-3-ol. |
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Structure | CC[C@H]1O[C@@H](C[C@H]2O[C@H](C[C@H]2O)[C@H](Br)C#C)[C@@H](Br)C[C@@H]1Br InChI=1S/C15H21Br3O3/c1-3-8(16)13-6-11(19)15(21-13)7-14-10(18)5-9(17)12(4-2)20-14/h1,8-15,19H,4-7H2,2H3/t8-,9+,10+,11-,12-,13-,14+,15-/m1/s1 |
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Synonyms | Not Available |
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Chemical Formula | C15H21Br3O3 |
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Average Mass | 489.0420 Da |
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Monoisotopic Mass | 485.90408 Da |
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IUPAC Name | Not Available |
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Traditional Name | Not Available |
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CAS Registry Number | Not Available |
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SMILES | CC[C@H]1O[C@@H](C[C@H]2O[C@H](C[C@H]2O)[C@H](Br)C#C)[C@@H](Br)C[C@@H]1Br |
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InChI Identifier | InChI=1S/C15H21Br3O3/c1-3-8(16)13-6-11(19)15(21-13)7-14-10(18)5-9(17)12(4-2)20-14/h1,8-15,19H,4-7H2,2H3/t8-,9+,10+,11-,12-,13-,14+,15-/m1/s1 |
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InChI Key | OJOGNQPBRRLKKS-KYLVNKGKSA-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 | |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as c-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a C-glycosidic bond. |
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Kingdom | Organic compounds |
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Super Class | Organic oxygen compounds |
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Class | Organooxygen compounds |
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Sub Class | Carbohydrates and carbohydrate conjugates |
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Direct Parent | C-glycosyl compounds |
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Alternative Parents | |
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Substituents | - C-glycosyl compound
- Oxane
- Tetrahydrofuran
- Secondary alcohol
- Acetylide
- Dialkyl ether
- Ether
- Oxacycle
- Organoheterocyclic compound
- Alkyl bromide
- Organohalogen compound
- Organobromide
- Hydrocarbon derivative
- Alkyl halide
- Alcohol
- Aliphatic heteromonocyclic compound
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Molecular Framework | Aliphatic heteromonocyclic compounds |
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External Descriptors | Not Available |
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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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