Record Information |
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Version | 1.0 |
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Created at | 2022-07-15 08:00:35 UTC |
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Updated at | 2022-07-15 08:40:11 UTC |
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NP-MRD ID | NP0141343 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | dolichocymboside E |
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Description | Not Available |
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Structure | CO[C@@H]1CC2[C@H](O)C=C(CO)C2[C@H](OC2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2OC(=O)C2=CC=CC=C2)O1 InChI=1S/C23H30O11/c1-30-16-8-13-14(26)7-12(9-24)17(13)22(32-16)34-23-20(19(28)18(27)15(10-25)31-23)33-21(29)11-5-3-2-4-6-11/h2-7,13-20,22-28H,8-10H2,1H3/t13?,14-,15-,16+,17?,18-,19+,20-,22+,23?/m1/s1 |
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Synonyms | Not Available |
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Chemical Formula | C23H30O11 |
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Average Mass | 482.4820 Da |
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Monoisotopic Mass | 482.17881 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 | CO[C@@H]1CC2[C@H](O)C=C(CO)C2[C@H](OC2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2OC(=O)C2=CC=CC=C2)O1 |
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InChI Identifier | InChI=1S/C23H30O11/c1-30-16-8-13-14(26)7-12(9-24)17(13)22(32-16)34-23-20(19(28)18(27)15(10-25)31-23)33-21(29)11-5-3-2-4-6-11/h2-7,13-20,22-28H,8-10H2,1H3/t13?,14-,15-,16+,17?,18-,19+,20-,22+,23?/m1/s1 |
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InChI Key | BLQNICACZUSVDO-KIVIVEPBSA-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 | 1H NMR Spectrum (1D, 300 MHz, Methanol, simulated) | Wmj316408 | | | 2022-07-15 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 300 MHz, Methanol, experimental) | Wmj316408 | | | 2022-07-15 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 300 MHz, Methanol, experimental) | Wmj316408 | | | 2022-07-15 | View Spectrum |
| 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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