Record Information |
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Version | 1.0 |
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Created at | 2021-01-05 23:06:11 UTC |
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Updated at | 2021-07-15 17:15:29 UTC |
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NP-MRD ID | NP0013797 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Sulphureuine D |
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Provided By | NPAtlas![NPAtlas Logo](/attributions/npatlas_logo_square_small.png) |
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Description | Sulphureuine D is found in Laetiporus sulphureus. It was first documented in 2012 (PMID: 34383397). Based on a literature review very few articles have been published on 1,2-bis(hydroxymethyl)-6,8a-dimethyl-5-methylidene-decahydronaphthalen-2-ol (PMID: 25665943) (PMID: 34383398) (PMID: 34383396) (PMID: 34384147). |
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Structure | [H]OC([H])([H])[C@]1([H])[C@@](O[H])(C([H])([H])O[H])C([H])([H])C([H])([H])[C@@]2([H])C(=C([H])[H])[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[C@]12C([H])([H])[H] InChI=1S/C15H26O3/c1-10-4-6-14(3)12(11(10)2)5-7-15(18,9-17)13(14)8-16/h10,12-13,16-18H,2,4-9H2,1,3H3/t10-,12-,13-,14-,15-/m0/s1 |
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Synonyms | Value | Source |
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Sulfureuine D | Generator |
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Chemical Formula | C15H26O3 |
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Average Mass | 254.3700 Da |
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Monoisotopic Mass | 254.18819 Da |
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IUPAC Name | (1R,2R,4aS,6S,8aS)-1,2-bis(hydroxymethyl)-6,8a-dimethyl-5-methylidene-decahydronaphthalen-2-ol |
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Traditional Name | (1R,2R,4aS,6S,8aS)-1,2-bis(hydroxymethyl)-6,8a-dimethyl-5-methylidene-hexahydro-1H-naphthalen-2-ol |
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CAS Registry Number | Not Available |
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SMILES | CC1CCC2(C)C(CO)C(O)(CO)CCC2C1=C |
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InChI Identifier | InChI=1S/C15H26O3/c1-10-4-6-14(3)12(11(10)2)5-7-15(18,9-17)13(14)8-16/h10,12-13,16-18H,2,4-9H2,1,3H3 |
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InChI Key | LZORNOZYYPWODR-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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