Record Information |
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Version | 1.0 |
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Created at | 2022-06-29 19:44:38 UTC |
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Updated at | 2022-06-29 19:44:38 UTC |
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NP-MRD ID | NP0139221 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Artemyriantholide D |
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Description | Artemyriantholide D is found in Artemisia myriantha. |
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Structure | CC1=CC[C@]23O[C@@]2(C)CC[C@@H]2[C@H](OC(=O)[C@@]22C[C@@]45C=C[C@]2(C)[C@@H]4[C@H]2OC(=O)C(=C)[C@@H]2CC[C@@]5(C)O)[C@@H]13 InChI=1S/C30H36O6/c1-15-6-11-30-19(15)21-18(8-10-27(30,5)36-30)29(24(32)35-21)14-28-13-12-25(29,3)22(28)20-17(7-9-26(28,4)33)16(2)23(31)34-20/h6,12-13,17-22,33H,2,7-11,14H2,1,3-5H3/t17-,18+,19+,20-,21-,22-,25+,26+,27-,28-,29+,30+/m0/s1 |
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Synonyms | Not Available |
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Chemical Formula | C30H36O6 |
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Average Mass | 492.6120 Da |
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Monoisotopic Mass | 492.25119 Da |
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IUPAC Name | Not Available |
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Traditional Name | Not Available |
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CAS Registry Number | Not Available |
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SMILES | CC1=CC[C@]23O[C@@]2(C)CC[C@@H]2[C@H](OC(=O)[C@@]22C[C@@]45C=C[C@]2(C)[C@@H]4[C@H]2OC(=O)C(=C)[C@@H]2CC[C@@]5(C)O)[C@@H]13 |
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InChI Identifier | InChI=1S/C30H36O6/c1-15-6-11-30-19(15)21-18(8-10-27(30,5)36-30)29(24(32)35-21)14-28-13-12-25(29,3)22(28)20-17(7-9-26(28,4)33)16(2)23(31)34-20/h6,12-13,17-22,33H,2,7-11,14H2,1,3-5H3/t17-,18+,19+,20-,21-,22-,25+,26+,27-,28-,29+,30+/m0/s1 |
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InChI Key | ZIEXIIVSXSCSRL-KYHVQWHXSA-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 | |
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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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