Record Information |
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Version | 1.0 |
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Created at | 2024-05-11 22:25:07 UTC |
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Updated at | 2024-05-11 22:31:51 UTC |
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NP-MRD ID | NP0333161 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Cannabifolin H |
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Description | Not Available |
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Structure | COC1=CC(\C=C\CO)=CC=C1O[C@@H]1O[C@H](COC(=O)C2=CC=C(O)C=C2)[C@@H](O)[C@H](O)[C@H]1O InChI=1S/C23H26O10/c1-30-17-11-13(3-2-10-24)4-9-16(17)32-23-21(28)20(27)19(26)18(33-23)12-31-22(29)14-5-7-15(25)8-6-14/h2-9,11,18-21,23-28H,10,12H2,1H3/b3-2+/t18-,19-,20+,21-,23-/m1/s1 |
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Synonyms | Not Available |
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Chemical Formula | C23H26O10 |
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Average Mass | 462.4510 Da |
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Monoisotopic Mass | 462.15260 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 | COC1=CC(\C=C\CO)=CC=C1O[C@@H]1O[C@H](COC(=O)C2=CC=C(O)C=C2)[C@@H](O)[C@H](O)[C@H]1O |
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InChI Identifier | InChI=1S/C23H26O10/c1-30-17-11-13(3-2-10-24)4-9-16(17)32-23-21(28)20(27)19(26)18(33-23)12-31-22(29)14-5-7-15(25)8-6-14/h2-9,11,18-21,23-28H,10,12H2,1H3/b3-2+/t18-,19-,20+,21-,23-/m1/s1 |
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InChI Key | XPMHZVUXVZRFCA-OYCOKUDESA-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, 500 MHz, C2D6OS, experimental) | huohuixia1989@163.com | Not Available | Not Available | 2024-05-11 | View Spectrum | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 500 MHz, C2D6OS, experimental) | huohuixia1989@163.com | Not Available | Not Available | 2024-05-11 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, C2D6OS, experimental) | huohuixia1989@163.com | Not Available | Not Available | 2024-05-11 | View Spectrum | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 500 MHz, C2D6OS, experimental) | huohuixia1989@163.com | Not Available | Not Available | 2024-05-11 | View Spectrum | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 500 MHz, C2D6OS, experimental) | huohuixia1989@163.com | Not Available | Not Available | 2024-05-11 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 126 MHz, C2D6OS, experimental) | huohuixia1989@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, simulated) | Not Available | Not Available | Not Available | 2024-05-11 | View Spectrum |
| 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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General References | - Sun J, Li M, Wang Y, Chang C, Pei Y, Zeng K, Zhao Y, Zheng J, Song Y, Tu P, Huo H, Li J: Phenolic Glucosides from the Leaves of Vitex negundo var. cannabifolia. Chem Biodivers. 2022 Nov;19(11):e202200652. doi: 10.1002/cbdv.202200652. Epub 2022 Oct 10. [PubMed:36129755 ]
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