Record Information |
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Version | 2.0 |
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Created at | 2023-02-08 08:01:26 UTC |
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Updated at | 2024-09-03 04:15:57 UTC |
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NP-MRD ID | NP0331504 |
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Natural Product DOI | https://doi.org/10.57994/0464 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Arteannusesoside A |
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Description | Arteannusesoside A was first documented in 2023 (PMID: 36740572). Based on a literature review very few articles have been published on Arteannusesoside A. |
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Structure | [H][C@]12C[C@H](CC[C@]1(C)C(=O)C=C[C@]2(C)O)C(C)(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O InChI=1S/C21H34O8/c1-19(2,29-18-17(26)16(25)15(24)12(10-22)28-18)11-5-7-20(3)13(9-11)21(4,27)8-6-14(20)23/h6,8,11-13,15-18,22,24-27H,5,7,9-10H2,1-4H3/t11-,12+,13-,15+,16-,17+,18-,20-,21-/m0/s1 |
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Synonyms | Not Available |
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Chemical Formula | C21H34O8 |
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Average Mass | 414.4950 Da |
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Monoisotopic Mass | 414.22537 Da |
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IUPAC Name | (4S,4aS,6S,8aS)-4-hydroxy-4,8a-dimethyl-6-(2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propan-2-yl)-1,4,4a,5,6,7,8,8a-octahydronaphthalen-1-one |
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Traditional Name | (4S,4aS,6S,8aS)-4-hydroxy-4,8a-dimethyl-6-(2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propan-2-yl)-5,6,7,8-tetrahydro-4aH-naphthalen-1-one |
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CAS Registry Number | Not Available |
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SMILES | [H][C@]12C[C@H](CC[C@]1(C)C(=O)C=C[C@]2(C)O)C(C)(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |
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InChI Identifier | InChI=1S/C21H34O8/c1-19(2,29-18-17(26)16(25)15(24)12(10-22)28-18)11-5-7-20(3)13(9-11)21(4,27)8-6-14(20)23/h6,8,11-13,15-18,22,24-27H,5,7,9-10H2,1-4H3/t11-,12+,13-,15+,16-,17+,18-,20-,21-/m0/s1 |
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InChI Key | HJSVGFFCAZSMID-ZPNMNOIISA-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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COSY NMR | [1H, 1H] NMR Spectrum (2D, 400 MHz, CD3OD, experimental) | qiguo_wu@163.com | Not Available | Not Available | 2024-05-11 | View Spectrum | 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 | 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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| Spectrum Type | Description | Depositor ID | Depositor Organization | Depositor | Deposition Date | View |
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| 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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