| Record Information |
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| Version | 2.0 |
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| Created at | 2021-01-05 23:22:16 UTC |
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| Updated at | 2021-07-15 17:16:24 UTC |
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| NP-MRD ID | NP0014111 |
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| Secondary Accession Numbers | None |
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| Natural Product Identification |
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| Common Name | Spiromastol C |
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| Provided By | NPAtlas |
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| Description | Spiromastol C is found in Spiromastix. Based on a literature review very few articles have been published on Spiromastol C. |
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| Structure | [H]OC1=C(Cl)C(=C([H])C(OC2=C(C(Cl)=C(O[H])C(Cl)=C2OC([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[H])=C1Cl)C([H])([H])C([H])([H])C([H])([H])[H] InChI=1S/C19H20Cl4O4/c1-4-6-9-8-11(14(22)16(24)12(9)20)27-18-10(7-5-2)13(21)17(25)15(23)19(18)26-3/h8,24-25H,4-7H2,1-3H3 |
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| Synonyms | Not Available |
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| Chemical Formula | C19H20Cl4O4 |
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| Average Mass | 454.1700 Da |
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| Monoisotopic Mass | 452.01157 Da |
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| IUPAC Name | 2,6-dichloro-4-(2,4-dichloro-3-hydroxy-5-propylphenoxy)-3-methoxy-5-propylphenol |
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| Traditional Name | 2,6-dichloro-4-(2,4-dichloro-3-hydroxy-5-propylphenoxy)-3-methoxy-5-propylphenol |
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| CAS Registry Number | Not Available |
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| SMILES | CCCC1=CC(OC2=C(CCC)C(Cl)=C(O)C(Cl)=C2OC)=C(Cl)C(O)=C1Cl |
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| InChI Identifier | InChI=1S/C19H20Cl4O4/c1-4-6-9-8-11(14(22)16(24)12(9)20)27-18-10(7-5-2)13(21)17(25)15(23)19(18)26-3/h8,24-25H,4-7H2,1-3H3 |
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| InChI Key | XDYSSWKOELKWEX-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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