| Record Information |
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| Version | 2.0 |
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| Created at | 2021-01-05 23:44:35 UTC |
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| Updated at | 2021-07-15 17:17:47 UTC |
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| NP-MRD ID | NP0014628 |
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| Secondary Accession Numbers | None |
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| Natural Product Identification |
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| Common Name | Rickenyl D |
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| Provided By | NPAtlas |
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| Description | Rickenyl D is found in Hypoxylon rickii. Based on a literature review very few articles have been published on 4-(4-hydroxyphenyl)-2,4',6-trimethoxy-[1,1'-biphenyl]-3,5-diol. |
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| Structure | [H]OC1=C([H])C([H])=C(C([H])=C1[H])C1=C(O[H])C(OC([H])([H])[H])=C(C(OC([H])([H])[H])=C1O[H])C1=C([H])C([H])=C(OC([H])([H])[H])C([H])=C1[H] InChI=1S/C21H20O6/c1-25-15-10-6-13(7-11-15)17-20(26-2)18(23)16(19(24)21(17)27-3)12-4-8-14(22)9-5-12/h4-11,22-24H,1-3H3 |
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| Synonyms | Not Available |
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| Chemical Formula | C21H20O6 |
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| Average Mass | 368.3850 Da |
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| Monoisotopic Mass | 368.12599 Da |
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| IUPAC Name | 3,5-dimethoxy-4-(4-methoxyphenyl)-[1,1'-biphenyl]-2,4',6-triol |
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| Traditional Name | 3,5-dimethoxy-4-(4-methoxyphenyl)-[1,1'-biphenyl]-2,4',6-triol |
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| CAS Registry Number | Not Available |
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| SMILES | COC1=CC=C(C=C1)C1=C(OC)C(O)=C(C(O)=C1OC)C1=CC=C(O)C=C1 |
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| InChI Identifier | InChI=1S/C21H20O6/c1-25-15-10-6-13(7-11-15)17-20(26-2)18(23)16(19(24)21(17)27-3)12-4-8-14(22)9-5-12/h4-11,22-24H,1-3H3 |
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| InChI Key | QOFOPUXDBNNMHW-UHFFFAOYSA-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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