Record Information |
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Version | 2.0 |
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Created at | 2022-12-21 20:00:59 UTC |
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Updated at | 2024-09-03 04:14:57 UTC |
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NP-MRD ID | NP0331218 |
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Natural Product DOI | https://doi.org/10.57994/0098 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Prunolide F |
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Description | Prunolide F was first documented in 2022 (PMID: 35050597). |
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Structure | OC1=CC=C(C=C1)C1=CC(=O)O[C@]11O[C@]2(OC(=O)C=C2C2=CC(Br)=C(O)C(Br)=C2)C(=C1C1=CC=C(O)C(Br)=C1)C1=CC=C(O)C=C1 InChI=1S/C34H19Br3O9/c35-24-11-18(5-10-27(24)40)31-30(17-3-8-21(39)9-4-17)34(23(15-29(42)45-34)19-12-25(36)32(43)26(37)13-19)46-33(31)22(14-28(41)44-33)16-1-6-20(38)7-2-16/h1-15,38-40,43H/t33-,34-/m0/s1 |
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Synonyms | Not Available |
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Chemical Formula | C34H19Br3O9 |
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Average Mass | 811.2290 Da |
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Monoisotopic Mass | 807.85792 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 | OC1=CC=C(C=C1)C1=CC(=O)O[C@]11O[C@]2(OC(=O)C=C2C2=CC(Br)=C(O)C(Br)=C2)C(=C1C1=CC=C(O)C(Br)=C1)C1=CC=C(O)C=C1 |
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InChI Identifier | InChI=1S/C34H19Br3O9/c35-24-11-18(5-10-27(24)40)31-30(17-3-8-21(39)9-4-17)34(23(15-29(42)45-34)19-12-25(36)32(43)26(37)13-19)46-33(31)22(14-28(41)44-33)16-1-6-20(38)7-2-16/h1-15,38-40,43H/t33-,34-/m0/s1 |
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InChI Key | LCFJWAFKZTXBKC-HEVIKAOCSA-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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HMBC NMR | [1H, 13C] NMR Spectrum (2D, 500 MHz, CD3OD, experimental) | darren.holland@griffithuni.edu.au | Not Available | Not Available | 2024-05-13 | View Spectrum | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 500 MHz, CD3OD, experimental) | darren.holland@griffithuni.edu.au | Not Available | Not Available | 2024-05-13 | View Spectrum | COSY NMR | [1H, 1H] NMR Spectrum (2D, 500 MHz, CD3OD, experimental) | darren.holland@griffithuni.edu.au | Not Available | Not Available | 2024-05-13 | View Spectrum | ROESY NMR | [1H, 1H] NMR Spectrum (2D, 500 MHz, CD3OD, experimental) | darren.holland@griffithuni.edu.au | Not Available | Not Available | 2024-05-13 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, CD3OD, experimental) | darren.holland@griffithuni.edu.au | Not Available | Not Available | 2024-05-13 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 126 MHz, CD3OD, experimental) | darren.holland@griffithuni.edu.au | Not Available | Not Available | 2024-05-13 | View Spectrum |
| Predicted Spectra |
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| Not Available | Chemical Shift Submissions |
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| Not Available | Species |
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Species of Origin | Species Name | Source | Reference |
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prunum | | |
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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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