| Record Information |
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| Version | 2.0 |
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| Created at | 2022-11-28 18:09:42 UTC |
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| Updated at | 2024-09-03 04:14:57 UTC |
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| NP-MRD ID | NP0331196 |
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| Natural Product DOI | https://doi.org/10.57994/0103 |
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| Secondary Accession Numbers | None |
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| Natural Product Identification |
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| Common Name | Talarodiene |
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| Description | Talarodiene is a secondary metabolite. Secondary metabolites are metabolically or physiologically non-essential metabolites that may serve a role as defense or signalling molecules. In some cases they are simply molecules that arise from the incomplete metabolism of other secondary metabolites. Talarodiene was first documented in 2022 (PMID: 36126322). Based on a literature review very few articles have been published on talarodiene. |
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| Structure | [H][C@@]12C[C@@]3(C)CCC(C)(C)C=C3C\C=C(C)/[C@]1([H])CC[C@@H]2C InChI=1S/C20H32/c1-14-6-8-16-12-19(3,4)10-11-20(16,5)13-18-15(2)7-9-17(14)18/h6,12,15,17-18H,7-11,13H2,1-5H3/b14-6-/t15-,17-,18-,20+/m0/s1 |
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| Synonyms | Not Available |
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| Chemical Formula | C20H32 |
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| Average Mass | 272.4760 Da |
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| Monoisotopic Mass | 272.25040 Da |
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| IUPAC Name | (1R,3S,4S,7R,8Z)-1,4,8,13,13-pentamethyltricyclo[9.4.0.0^{3,7}]pentadeca-8,11-diene |
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| Traditional Name | (1R,3S,4S,7R,8Z)-1,4,8,13,13-pentamethyltricyclo[9.4.0.0^{3,7}]pentadeca-8,11-diene |
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| CAS Registry Number | Not Available |
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| SMILES | [H][C@@]12C[C@@]3(C)CCC(C)(C)C=C3C\C=C(C)/[C@]1([H])CC[C@@H]2C |
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| InChI Identifier | InChI=1S/C20H32/c1-14-6-8-16-12-19(3,4)10-11-20(16,5)13-18-15(2)7-9-17(14)18/h6,12,15,17-18H,7-11,13H2,1-5H3/b14-6-/t15-,17-,18-,20+/m0/s1 |
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| InChI Key | XTOGEKDHHWZDDZ-JAMRKFNNSA-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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| 1D NMR | 13C NMR Spectrum (1D, 126 MHz, CDCL3, experimental) | u6024660@utah.edu | Not Available | Not Available | 2024-05-11 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 126 MHz, CDCL3, experimental) | u6024660@utah.edu | Not Available | Not Available | 2024-05-11 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 126 MHz, CDCL3, experimental) | u6024660@utah.edu | Not Available | Not Available | 2024-05-11 | View Spectrum | | NOESY NMR | [1H, 1H] NMR Spectrum (2D, 500 MHz, CDCl3, experimental) | u6024660@utah.edu | Not Available | Not Available | 2022-12-21 | View Spectrum | | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 500 MHz, CDCl3, experimental) | u6024660@utah.edu | Not Available | Not Available | 2022-12-21 | View Spectrum | | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 500 MHz, CDCl3, experimental) | u6024660@utah.edu | Not Available | Not Available | 2022-12-21 | View Spectrum | | COSY NMR | [1H, 1H] NMR Spectrum (2D, 500 MHz, CDCl3, experimental) | u6024660@utah.edu | Not Available | Not Available | 2022-12-21 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 126 MHz, CDCl3, experimental) | u6024660@utah.edu | Not Available | Not Available | 2022-12-21 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, CDCl3, experimental) | u6024660@utah.edu | Not Available | Not Available | 2022-12-21 | 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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| Aspergillus flavipes CNL-338 | | |
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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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