Record Information |
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Version | 1.0 |
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Created at | 2020-12-09 02:45:27 UTC |
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Updated at | 2021-07-15 16:52:16 UTC |
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NP-MRD ID | NP0005530 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | 7-demethylnaphterpin |
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Provided By | NPAtlas |
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Description | 7-demethylnaphterpin is found in Streptomyces prunicolor and Streptomyces sp. T 3556. It was first documented in 1992 (PMID: 1548182). Based on a literature review very few articles have been published on (4aS,12bS)-8,10-dihydroxy-2,5,5-trimethyl-4,4a,5,7,12,12b-hexahydro-3H-6-oxatetraphene-7,12-dione. |
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Structure | [H]OC1=C([H])C(O[H])=C2C(=O)C3=C(C(=O)C2=C1[H])[C@@]1([H])C([H])=C(C([H])([H])[H])C([H])([H])C([H])([H])[C@]1([H])C(O3)(C([H])([H])[H])C([H])([H])[H] InChI=1S/C20H20O5/c1-9-4-5-13-11(6-9)16-17(23)12-7-10(21)8-14(22)15(12)18(24)19(16)25-20(13,2)3/h6-8,11,13,21-22H,4-5H2,1-3H3/t11-,13-/m0/s1 |
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Synonyms | Not Available |
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Chemical Formula | C20H20O5 |
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Average Mass | 340.3750 Da |
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Monoisotopic Mass | 340.13107 Da |
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IUPAC Name | (4aS,12bS)-8,10-dihydroxy-2,5,5-trimethyl-4,4a,5,7,12,12b-hexahydro-3H-6-oxatetraphene-7,12-dione |
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Traditional Name | (4aS,12bS)-8,10-dihydroxy-2,5,5-trimethyl-3,4,4a,12b-tetrahydro-6-oxatetraphene-7,12-dione |
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CAS Registry Number | Not Available |
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SMILES | CC1=C[C@H]2[C@H](CC1)C(C)(C)OC1=C2C(=O)C2=CC(O)=CC(O)=C2C1=O |
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InChI Identifier | InChI=1S/C20H20O5/c1-9-4-5-13-11(6-9)16-17(23)12-7-10(21)8-14(22)15(12)18(24)19(16)25-20(13,2)3/h6-8,11,13,21-22H,4-5H2,1-3H3/t11-,13-/m0/s1 |
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InChI Key | WZLAAPRLRPKMEF-AAEUAGOBSA-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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