Record Information |
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Version | 1.0 |
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Created at | 2023-04-15 00:20:09 UTC |
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Updated at | 2024-04-19 09:46:52 UTC |
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NP-MRD ID | NP0331587 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Usambarin D |
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Description | Not Available |
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Structure | CC1(C)OC2=C(O)C=CC(C3=CC4=CC(O)=CC=C4C=C3)=C2C=C1 InChI=1S/C21H18O3/c1-21(2)10-9-18-17(7-8-19(23)20(18)24-21)14-4-3-13-5-6-16(22)12-15(13)11-14/h3-12,22-23H,1-2H3 |
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Synonyms | Not Available |
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Chemical Formula | C21H18O3 |
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Average Mass | 318.3720 Da |
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Monoisotopic Mass | 318.12559 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 | CC1(C)OC2=C(O)C=CC(C3=CC4=CC(O)=CC=C4C=C3)=C2C=C1 |
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InChI Identifier | InChI=1S/C21H18O3/c1-21(2)10-9-18-17(7-8-19(23)20(18)24-21)14-4-3-13-5-6-16(22)12-15(13)11-14/h3-12,22-23H,1-2H3 |
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InChI Key | VLCIDRCFCGZWSI-UHFFFAOYSA-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, CDCl3, experimental) | mate.erdelyi@kemi.uu.se | Not Available | Not Available | 2023-04-15 | View Spectrum | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 500 MHz, CDCl3, experimental) | mate.erdelyi@kemi.uu.se | Not Available | Not Available | 2023-04-15 | View Spectrum | TOCSY NMR | [1H, 1H] NMR Spectrum (2D, 500 MHz, CDCl3, experimental) | mate.erdelyi@kemi.uu.se | Not Available | Not Available | 2023-04-15 | View Spectrum | NOESY NMR | [1H, 1H] NMR Spectrum (2D, 500 MHz, CDCl3, experimental) | mate.erdelyi@kemi.uu.se | Not Available | Not Available | 2023-04-15 | View Spectrum | COSY NMR | [1H, 1H] NMR Spectrum (2D, 500 MHz, CDCl3, experimental) | mate.erdelyi@kemi.uu.se | Not Available | Not Available | 2023-04-15 | View Spectrum | 1D NMR | [13C, ] NMR Spectrum (2D, 126 MHz, CDCl3, experimental) | mate.erdelyi@kemi.uu.se | Not Available | Not Available | 2023-04-15 | View Spectrum | 1D NMR | [1H, ] NMR Spectrum (2D, 500 MHz, CDCl3, experimental) | mate.erdelyi@kemi.uu.se | Not Available | Not Available | 2023-04-15 | 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 | Not Available |
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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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