Record Information |
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Version | 1.0 |
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Created at | 2020-12-09 00:42:38 UTC |
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Updated at | 2021-07-15 16:46:29 UTC |
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NP-MRD ID | NP0003467 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | 1(10),4-germacradiene-2,6,12-triol |
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Provided By | NPAtlas |
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Description | 1(10),4-germacradiene-2,6,12-triol is found in Resupinatus. It was first documented in 2000 (PMID: 11000039). Based on a literature review very few articles have been published on (1S,2R,6S)-4,8-Dimethyl-1-[(R)-2-hydroxy-1-methylethyl]-3,7-cyclodecadiene-2,6-diol. |
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Structure | [H]OC([H])([H])[C@]([H])(C([H])([H])[H])[C@]1([H])C([H])([H])C([H])([H])\C(=C([H])/[C@@]([H])(O[H])C([H])([H])\C(=C([H])/[C@]1([H])O[H])C([H])([H])[H])C([H])([H])[H] InChI=1S/C15H26O3/c1-10-4-5-14(12(3)9-16)15(18)8-11(2)7-13(17)6-10/h6,8,12-18H,4-5,7,9H2,1-3H3/b10-6-,11-8-/t12-,13+,14-,15-/m0/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,2Z,5S,6Z,10S)-10-[(2R)-1-hydroxypropan-2-yl]-3,7-dimethylcyclodeca-2,6-diene-1,5-diol |
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Traditional Name | (1R,2Z,5S,6Z,10S)-10-[(2R)-1-hydroxypropan-2-yl]-3,7-dimethylcyclodeca-2,6-diene-1,5-diol |
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CAS Registry Number | Not Available |
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SMILES | C[C@@H](CO)[C@@H]1CC\C(C)=C/[C@@H](O)C\C(C)=C/[C@@H]1O |
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InChI Identifier | InChI=1S/C15H26O3/c1-10-4-5-14(12(3)9-16)15(18)8-11(2)7-13(17)6-10/h6,8,12-18H,4-5,7,9H2,1-3H3/b10-6-,11-8-/t12-,13+,14-,15-/m0/s1 |
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InChI Key | UYYRKGKEJKOKEQ-QKVDVATFSA-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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