Record Information |
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Version | 1.0 |
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Created at | 2024-05-11 22:24:14 UTC |
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Updated at | 2024-05-11 22:31:50 UTC |
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NP-MRD ID | NP0333160 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Cannabifolin G |
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Description | Not Available |
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Structure | CC(=O)CCC1=CC=C(O[C@@H]2O[C@H](COC(=O)\C=C\C3=CC=C(O)C(O)=C3)[C@@H](O)[C@H](O)[C@H]2O)C=C1 InChI=1S/C25H28O10/c1-14(26)2-3-15-4-8-17(9-5-15)34-25-24(32)23(31)22(30)20(35-25)13-33-21(29)11-7-16-6-10-18(27)19(28)12-16/h4-12,20,22-25,27-28,30-32H,2-3,13H2,1H3/b11-7+/t20-,22-,23+,24-,25-/m1/s1 |
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Synonyms | Not Available |
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Chemical Formula | C25H28O10 |
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Average Mass | 488.4890 Da |
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Monoisotopic Mass | 488.16825 Da |
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IUPAC Name | [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-(3-oxobutyl)phenoxy]oxan-2-yl]methyl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate |
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Traditional Name | [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-(3-oxobutyl)phenoxy]oxan-2-yl]methyl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate |
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CAS Registry Number | Not Available |
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SMILES | CC(=O)CCC1=CC=C(O[C@@H]2O[C@H](COC(=O)\C=C\C3=CC=C(O)C(O)=C3)[C@@H](O)[C@H](O)[C@H]2O)C=C1 |
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InChI Identifier | InChI=1S/C25H28O10/c1-14(26)2-3-15-4-8-17(9-5-15)34-25-24(32)23(31)22(30)20(35-25)13-33-21(29)11-7-16-6-10-18(27)19(28)12-16/h4-12,20,22-25,27-28,30-32H,2-3,13H2,1H3/b11-7+/t20-,22-,23+,24-,25-/m1/s1 |
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InChI Key | CGLLKQNRBTTZOO-QLSXDBPLSA-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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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 | 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 | 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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