Record Information |
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Version | 1.0 |
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Created at | 2021-01-05 23:34:04 UTC |
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Updated at | 2021-07-15 17:17:09 UTC |
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NP-MRD ID | NP0014383 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Tramspiroin D |
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Provided By | NPAtlas![NPAtlas Logo](/attributions/npatlas_logo_square_small.png) |
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Description | Tramspiroin D is found in Trametes versicolor. It was first documented in 2015 (PMID: 26136058). Based on a literature review very few articles have been published on Tramspiroin D. |
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Structure | [H]C([H])([H])[C@@]1([H])C(=O)O[C@]2([H])[C@@]1([H])C([H])([H])C([H])([H])[C@@]([H])(C([H])([H])[H])[C@]21C([H])([H])C([H])([H])[C@@]2(O[C@]12[H])C([H])([H])[H] InChI=1S/C15H22O3/c1-8-4-5-10-9(2)12(16)17-11(10)15(8)7-6-14(3)13(15)18-14/h8-11,13H,4-7H2,1-3H3/t8-,9-,10+,11-,13+,14+,15-/m1/s1 |
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Synonyms | Not Available |
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Chemical Formula | C15H22O3 |
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Average Mass | 250.3380 Da |
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Monoisotopic Mass | 250.15689 Da |
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IUPAC Name | (1'R,3R,3aS,5'S,6R,7R,7aR)-3,5',6-trimethyl-hexahydro-2H-6'-oxaspiro[1-benzofuran-7,2'-bicyclo[3.1.0]hexane]-2-one |
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Traditional Name | (1'R,3R,3aS,5'S,6R,7R,7aR)-3,5',6-trimethyl-hexahydro-6'-oxaspiro[1-benzofuran-7,2'-bicyclo[3.1.0]hexane]-2-one |
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CAS Registry Number | Not Available |
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SMILES | C[C@@H]1[C@@H]2CC[C@@H](C)[C@]3(CC[C@]4(C)O[C@H]34)[C@@H]2OC1=O |
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InChI Identifier | InChI=1S/C15H22O3/c1-8-4-5-10-9(2)12(16)17-11(10)15(8)7-6-14(3)13(15)18-14/h8-11,13H,4-7H2,1-3H3/t8-,9-,10+,11-,13+,14+,15-/m1/s1 |
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InChI Key | VNPCXLHQLYERBY-BDUPTMPASA-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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