Record Information |
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Version | 1.0 |
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Created at | 2020-12-09 02:45:54 UTC |
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Updated at | 2021-07-15 16:52:19 UTC |
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NP-MRD ID | NP0005542 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | (+)-(1R,5R,6R,7R,10R)-cadinan-4(11)-ene-1,5,12-triol |
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Provided By | NPAtlas |
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Description | (+)-(1R,5R,6R,7R,10R)-cadinan-4(11)-ene-1,5,12-triol is found in Dictyopteris divaricata and Unknown-fungus sp.. It was first documented in 2004 (PMID: 15497933). Based on a literature review very few articles have been published on (1R,4aR,5R,8R,8aR)-8-(2-hydroxypropan-2-yl)-5-methyl-2-methylidene-decahydronaphthalene-1,4a-diol. |
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Structure | [H]O[C@@]1([H])C(=C([H])[H])C([H])([H])C([H])([H])[C@@]2(O[H])[C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[C@]([H])([C@]12[H])C(O[H])(C([H])([H])[H])C([H])([H])[H] InChI=1S/C15H26O3/c1-9-7-8-15(18)10(2)5-6-11(14(3,4)17)12(15)13(9)16/h10-13,16-18H,1,5-8H2,2-4H3/t10-,11-,12-,13+,15-/m1/s1 |
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Synonyms | Not Available |
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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,4aR,5R,8R,8aR)-8-(2-hydroxypropan-2-yl)-5-methyl-2-methylidene-decahydronaphthalene-1,4a-diol |
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Traditional Name | (1R,4aR,5R,8R,8aR)-8-(2-hydroxypropan-2-yl)-5-methyl-2-methylidene-octahydronaphthalene-1,4a-diol |
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CAS Registry Number | Not Available |
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SMILES | C[C@@H]1CC[C@H]([C@@H]2[C@@H](O)C(=C)CC[C@@]12O)C(C)(C)O |
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InChI Identifier | InChI=1S/C15H26O3/c1-9-7-8-15(18)10(2)5-6-11(14(3,4)17)12(15)13(9)16/h10-13,16-18H,1,5-8H2,2-4H3/t10-,11-,12-,13+,15-/m1/s1 |
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InChI Key | QKNTUHOWMWQXOD-XLFUENPSSA-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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