Record Information |
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Version | 1.0 |
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Created at | 2024-05-02 00:04:32 UTC |
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Updated at | 2024-05-03 00:10:56 UTC |
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NP-MRD ID | NP0332903 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | HCDN |
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Description | Based on a literature review very few articles have been published on SCHEMBL2763369. |
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Structure | CCCCCC1=CC(O)=C(C(O)=C1)C1=C(C=CC(C)=C1)C(C)C InChI=1S/C21H28O2/c1-5-6-7-8-16-12-19(22)21(20(23)13-16)18-11-15(4)9-10-17(18)14(2)3/h9-14,22-23H,5-8H2,1-4H3 |
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Synonyms | Not Available |
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Chemical Formula | C21H28O2 |
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Average Mass | 312.4530 Da |
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Monoisotopic Mass | 312.20893 Da |
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IUPAC Name | 5'-methyl-4-pentyl-2'-(propan-2-yl)-[1,1'-biphenyl]-2,6-diol |
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Traditional Name | 2'-isopropyl-5'-methyl-4-pentyl-[1,1'-biphenyl]-2,6-diol |
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CAS Registry Number | Not Available |
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SMILES | CCCCCC1=CC(O)=C(C(O)=C1)C1=C(C=CC(C)=C1)C(C)C |
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InChI Identifier | InChI=1S/C21H28O2/c1-5-6-7-8-16-12-19(22)21(20(23)13-16)18-11-15(4)9-10-17(18)14(2)3/h9-14,22-23H,5-8H2,1-4H3 |
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InChI Key | SSZVAPUKGTXWOR-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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COSY NMR | [1H, 1H] NMR Spectrum (2D, 400 MHz, CD3CN, experimental) | alessio.porta@unipv.it | University of Pavia | Alessio Porta | 2024-05-02 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, CD3CN, experimental) | alessio.porta@unipv.it | University of Pavia | Alessio Porta | 2024-05-02 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 101 MHz, CD3CN, experimental) | alessio.porta@unipv.it | University of Pavia | Alessio Porta | 2024-05-02 | View Spectrum | 1D_DEPT NMR | 13C NMR Spectrum (1D, 101 MHz, CD3CN, experimental) | alessio.porta@unipv.it | University of Pavia | Alessio Porta | 2024-05-02 | View Spectrum | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 400 MHz, CD3CN, experimental) | alessio.porta@unipv.it | University of Pavia | Alessio Porta | 2024-05-02 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, CD3CN, experimental) | alessio.porta@unipv.it | University of Pavia | Alessio Porta | 2024-05-02 | 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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sp. | | |
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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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