Record Information |
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Version | 1.0 |
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Created at | 2020-12-09 01:35:05 UTC |
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Updated at | 2021-07-15 16:48:11 UTC |
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NP-MRD ID | NP0004086 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Sativene Epoxide |
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Provided By | NPAtlas |
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Description | Sativene Epoxide is found in Drechslera and Pyrenophora dematioidea. It was first documented in 2002 (PMID: 11908970). Based on a literature review very few articles have been published on (1'S,2S,2'S,3'R,6'R,8'S,9'S,10'R)-6'-methyl-3'-(propan-2-yl)spiro[oxirane-2,7'-tricyclo[4.4.0.0²,⁸]Decane]-9',10'-diol. |
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Structure | [H]O[C@]1([H])[C@]([H])(O[H])[C@@]2([H])[C@@]3([H])[C@]1([H])[C@]1(OC1([H])[H])[C@]2(C([H])([H])[H])C([H])([H])C([H])([H])[C@]3([H])C([H])(C([H])([H])[H])C([H])([H])[H] InChI=1S/C15H24O3/c1-7(2)8-4-5-14(3)10-9(8)11(13(17)12(10)16)15(14)6-18-15/h7-13,16-17H,4-6H2,1-3H3/t8-,9+,10-,11+,12-,13+,14-,15+/m1/s1 |
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Synonyms | Not Available |
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Chemical Formula | C15H24O3 |
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Average Mass | 252.3540 Da |
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Monoisotopic Mass | 252.17254 Da |
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IUPAC Name | (1'S,2S,2'S,3'R,6'R,8'S,9'S,10'R)-6'-methyl-3'-(propan-2-yl)spiro[oxirane-2,7'-tricyclo[4.4.0.0^{2,8}]decane]-9',10'-diol |
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Traditional Name | (1'S,2S,2'S,3'R,6'R,8'S,9'S,10'R)-3'-isopropyl-6'-methylspiro[oxirane-2,7'-tricyclo[4.4.0.0^{2,8}]decane]-9',10'-diol |
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CAS Registry Number | Not Available |
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SMILES | CC(C)[C@H]1CC[C@]2(C)[C@H]3[C@@H](O)[C@@H](O)[C@H]([C@@H]13)[C@@]21CO1 |
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InChI Identifier | InChI=1S/C15H24O3/c1-7(2)8-4-5-14(3)10-9(8)11(13(17)12(10)16)15(14)6-18-15/h7-13,16-17H,4-6H2,1-3H3/t8-,9+,10-,11+,12-,13+,14-,15+/m1/s1 |
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InChI Key | VHMNAPBFMHCKLZ-JUIPADMUSA-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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Species Where Detected | |
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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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