Record Information |
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Version | 1.0 |
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Created at | 2023-04-15 00:16:41 UTC |
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Updated at | 2024-04-19 09:46:48 UTC |
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NP-MRD ID | NP0331585 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Usambarin H |
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Description | Not Available |
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Structure | CC(C)=CCC1=CC(=C2CCC(C)(C)OC2=C1O)C1=CC2=CC(O)=CC=C2C=C1 InChI=1S/C26H28O3/c1-16(2)5-6-19-15-23(22-11-12-26(3,4)29-25(22)24(19)28)18-8-7-17-9-10-21(27)14-20(17)13-18/h5,7-10,13-15,27-28H,6,11-12H2,1-4H3 |
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Synonyms | Not Available |
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Chemical Formula | C26H28O3 |
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Average Mass | 388.5070 Da |
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Monoisotopic Mass | 388.20384 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 | CC(C)=CCC1=CC(=C2CCC(C)(C)OC2=C1O)C1=CC2=CC(O)=CC=C2C=C1 |
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InChI Identifier | InChI=1S/C26H28O3/c1-16(2)5-6-19-15-23(22-11-12-26(3,4)29-25(22)24(19)28)18-8-7-17-9-10-21(27)14-20(17)13-18/h5,7-10,13-15,27-28H,6,11-12H2,1-4H3 |
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InChI Key | GHASTDURPACZKG-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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NOESY NMR | [1H, 1H] NMR Spectrum (2D, 500 MHz, CD3OD, experimental) | mate.erdelyi@kemi.uu.se | Not Available | Not Available | 2023-04-15 | View Spectrum | 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 | 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 | 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 | 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 | 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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