Record Information |
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Version | 1.0 |
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Created at | 2022-09-09 22:51:48 UTC |
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Updated at | 2022-09-09 22:51:48 UTC |
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NP-MRD ID | NP0291678 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | (1s,14s,15s)-2,11,15-trimethyl-7-oxo-8,16,17-trioxatricyclo[13.2.2.0⁵,⁹]nonadeca-2,10-dien-14-yl acetate |
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Description | Not Available |
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Structure | CC(=O)O[C@H]1CCC(C)=CC2OC(=O)CC2CC=C(C)[C@@H]2CC[C@]1(C)OO2 InChI=1S/C21H30O6/c1-13-5-8-19(24-15(3)22)21(4)10-9-17(26-27-21)14(2)6-7-16-12-20(23)25-18(16)11-13/h6,11,16-19H,5,7-10,12H2,1-4H3/t16?,17-,18?,19-,21-/m0/s1 |
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Synonyms | Not Available |
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Chemical Formula | C21H30O6 |
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Average Mass | 378.4650 Da |
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Monoisotopic Mass | 378.20424 Da |
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IUPAC Name | (1S,14S,15S)-2,11,15-trimethyl-7-oxo-8,16,17-trioxatricyclo[13.2.2.0^{5,9}]nonadeca-2,10-dien-14-yl acetate |
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Traditional Name | (1S,14S,15S)-2,11,15-trimethyl-7-oxo-8,16,17-trioxatricyclo[13.2.2.0^{5,9}]nonadeca-2,10-dien-14-yl acetate |
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CAS Registry Number | Not Available |
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SMILES | CC(=O)O[C@H]1CCC(C)=CC2OC(=O)CC2CC=C(C)[C@@H]2CC[C@]1(C)OO2 |
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InChI Identifier | InChI=1S/C21H30O6/c1-13-5-8-19(24-15(3)22)21(4)10-9-17(26-27-21)14(2)6-7-16-12-20(23)25-18(16)11-13/h6,11,16-19H,5,7-10,12H2,1-4H3/t16?,17-,18?,19-,21-/m0/s1 |
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InChI Key | HMLNMCSIKAOJQE-FSOKQWICSA-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, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 100 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 252 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 50 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 200 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 75 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 300 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 101 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 126 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 151 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 176 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 700 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 201 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 800 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 226 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 900 MHz, H2O, 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 | Not Available |
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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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