Record Information |
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Version | 1.0 |
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Created at | 2023-02-08 08:00:40 UTC |
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Updated at | 2024-05-13 01:13:24 UTC |
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NP-MRD ID | NP0331501 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Arteannusesoside B |
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Description | Not Available |
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Structure | CC(C)(O)[C@@H]1CC[C@@]2(C)[C@@H](CCC(CO)=C2C1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O InChI=1S/C21H36O8/c1-20(2,27)12-6-7-21(3)13(8-12)11(9-22)4-5-15(21)29-19-18(26)17(25)16(24)14(10-23)28-19/h12,14-19,22-27H,4-10H2,1-3H3/t12-,14-,15-,16-,17+,18-,19+,21-/m1/s1 |
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Synonyms | Not Available |
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Chemical Formula | C21H36O8 |
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Average Mass | 416.5110 Da |
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Monoisotopic Mass | 416.24102 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 | CC(C)(O)[C@@H]1CC[C@@]2(C)[C@@H](CCC(CO)=C2C1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |
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InChI Identifier | InChI=1S/C21H36O8/c1-20(2,27)12-6-7-21(3)13(8-12)11(9-22)4-5-15(21)29-19-18(26)17(25)16(24)14(10-23)28-19/h12,14-19,22-27H,4-10H2,1-3H3/t12-,14-,15-,16-,17+,18-,19+,21-/m1/s1 |
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InChI Key | UXMGPDUXIBFQPJ-HVDXJYCBSA-N |
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Experimental Spectra |
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| Spectrum Type | Description | Depositor Email | Depositor Organization | Depositor | Deposition Date | View |
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NOESY NMR | [1H, 1H] NMR Spectrum (2D, 400 MHz, CD3OD, experimental) | qiguo_wu@163.com | Not Available | Not Available | 2024-05-11 | View Spectrum | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 400 MHz, CD3OD, experimental) | qiguo_wu@163.com | Not Available | Not Available | 2024-05-11 | View Spectrum | COSY NMR | [1H, 1H] NMR Spectrum (2D, 400 MHz, CD3OD, experimental) | qiguo_wu@163.com | Not Available | Not Available | 2024-05-11 | View Spectrum | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 400 MHz, CD3OD, experimental) | qiguo_wu@163.com | Not Available | Not Available | 2024-05-11 | View Spectrum | 1D_DEPT NMR | 13C NMR Spectrum (1D, 101 MHz, CD3OD, experimental) | qiguo_wu@163.com | Not Available | Not Available | 2024-05-11 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 101 MHz, CD3OD, experimental) | qiguo_wu@163.com | Not Available | Not Available | 2024-05-11 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, CD3OD, experimental) | qiguo_wu@163.com | Not Available | Not Available | 2024-05-11 | View Spectrum |
| Predicted Spectra |
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| Not Available | Chemical Shift Submissions |
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| Spectrum Type | Description | Depositor Email | Depositor Organization | Depositor | Deposition Date | View |
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1D NMR | 1H NMR Spectrum (1D, 500.11, CD3OD, simulated) | Not Available | Not Available | Not Available | 2024-05-11 | View Spectrum |
| Species |
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Species of Origin | Species Name | Source | Reference |
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annua | | |
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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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