Record Information |
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Version | 1.0 |
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Created at | 2022-12-23 16:18:29 UTC |
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Updated at | 2024-05-14 00:40:58 UTC |
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NP-MRD ID | NP0331412 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | (1R,2S,4R)-1,2,4-Trihydroxy-4-[heptadec-12′(Z)-enyl]cyclohexane |
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Description | Not Available |
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Structure | CCCC\C=C/CCCCCCCCCCC[C@]1(O)CC[C@@H](O)[C@H](O)C1 InChI=1S/C23H44O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-23(26)19-17-21(24)22(25)20-23/h5-6,21-22,24-26H,2-4,7-20H2,1H3/b6-5-/t21-,22-,23+/m1/s1 |
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Synonyms | Not Available |
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Chemical Formula | C23H44O3 |
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Average Mass | 368.6020 Da |
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Monoisotopic Mass | 368.32905 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 | CCCC\C=C/CCCCCCCCCCC[C@]1(O)CC[C@@H](O)[C@H](O)C1 |
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InChI Identifier | InChI=1S/C23H44O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-23(26)19-17-21(24)22(25)20-23/h5-6,21-22,24-26H,2-4,7-20H2,1H3/b6-5-/t21-,22-,23+/m1/s1 |
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InChI Key | MBRSOVXQLPTCFA-FYQTVMILSA-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, 400 MHz, CD3OD, experimental) | olusolabodede@gmail.com | Not Available | Not Available | 2024-05-12 | View Spectrum | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 400 MHz, CD3OD, experimental) | olusolabodede@gmail.com | Not Available | Not Available | 2024-05-12 | View Spectrum | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 400 MHz, CD3OD, experimental) | olusolabodede@gmail.com | Not Available | Not Available | 2024-05-12 | View Spectrum | COSY NMR | [1H, 1H] NMR Spectrum (2D, 400 MHz, CD3OD, experimental) | olusolabodede@gmail.com | Not Available | Not Available | 2024-05-12 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, CD3OD, experimental) | olusolabodede@gmail.com | Not Available | Not Available | 2024-05-12 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 101 MHz, CD3OD, experimental) | olusolabodede@gmail.com | Not Available | Not Available | 2024-05-12 | 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 | |
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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 | - Bodede O, More GK, Moodley R, Steenkamp P, Baijnath H, Maharaj V, Prinsloo G: New Alk(en)ylhydroxycyclohexanes with Tyrosinase Inhibition Potential from Harpephyllum caffrum Bernh. Gum Exudate. Molecules. 2022 Jun 15;27(12):3839. doi: 10.3390/molecules27123839. [PubMed:35744961 ]
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