| Record Information |
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| Version | 2.0 |
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| Created at | 2022-09-06 15:24:56 UTC |
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| Updated at | 2022-09-06 15:24:56 UTC |
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| NP-MRD ID | NP0233712 |
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| Secondary Accession Numbers | None |
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| Natural Product Identification |
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| Common Name | (9e)-9-tricosene |
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| Description | 9-Tricosene belongs to the class of organic compounds known as unsaturated aliphatic hydrocarbons. These are aliphatic Hydrocarbons that contains one or more unsaturated carbon atoms. These compounds contain one or more double or triple bonds. Thus, 9-tricosene is considered to be a hydrocarbon. (9e)-9-tricosene is found in Gryllotalpa orientalis and Pelargonium endlicherianum. (9e)-9-tricosene was first documented in 2020 (PMID: 33314814). Based on a literature review a small amount of articles have been published on 9-tricosene (PMID: 33461336) (PMID: 33147299) (PMID: 32787230). |
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| Structure | CCCCCCCCCCCCC\C=C\CCCCCCCC InChI=1S/C23H46/c1-3-5-7-9-11-13-15-17-19-21-23-22-20-18-16-14-12-10-8-6-4-2/h17,19H,3-16,18,20-23H2,1-2H3/b19-17+ |
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| Synonyms | Not Available |
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| Chemical Formula | C23H46 |
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| Average Mass | 322.6210 Da |
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| Monoisotopic Mass | 322.35995 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 | CCCCCCCCCCCCC\C=C\CCCCCCCC |
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| InChI Identifier | InChI=1S/C23H46/c1-3-5-7-9-11-13-15-17-19-21-23-22-20-18-16-14-12-10-8-6-4-2/h17,19H,3-16,18,20-23H2,1-2H3/b19-17+ |
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| InChI Key | IGOWHGRNPLFNDJ-HTXNQAPBSA-N |
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| Experimental Spectra |
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| Not Available | | Predicted Spectra |
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| | Spectrum Type | Description | Depositor ID | Depositor Organization | Depositor | Deposition Date | View |
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| 1D NMR | 13C NMR Spectrum (1D, 25 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 100 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 252 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 50 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 200 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 75 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 300 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 101 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 126 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 151 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 176 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 700 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 201 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 800 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 226 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 900 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum |
| | 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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| Description | Belongs to the class of organic compounds known as unsaturated aliphatic hydrocarbons. These are aliphatic Hydrocarbons that contains one or more unsaturated carbon atoms. These compounds contain one or more double or triple bonds. |
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| Kingdom | Organic compounds |
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| Super Class | Hydrocarbons |
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| Class | Unsaturated hydrocarbons |
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| Sub Class | Unsaturated aliphatic hydrocarbons |
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| Direct Parent | Unsaturated aliphatic hydrocarbons |
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| Alternative Parents | |
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| Substituents | - Unsaturated aliphatic hydrocarbon
- Olefin
- Alkene
- Acyclic olefin
- Aliphatic acyclic compound
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| Molecular Framework | Aliphatic acyclic compounds |
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| External Descriptors | |
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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 | - D'auria M, Lorenz R, Mecca M, Racioppi R, Romano VA, Viggiani L: The scent of Neotinea orchids from Basilicata (Southern Italy). Nat Prod Res. 2022 Jul;36(14):3741-3743. doi: 10.1080/14786419.2020.1871343. Epub 2021 Jan 19. [PubMed:33461336 ]
- Xu ZH, Liao WC, Liu W, Wang GL: [Chemical composition of body extracts from Apriona germari and its function in sexual communication]. Ying Yong Sheng Tai Xue Bao. 2020 Oct;31(10):3267-3272. doi: 10.13287/j.1001-9332.202010.031. [PubMed:33314814 ]
- Rossini C, Rodrigo F, Davyt B, Umpierrez ML, Gonzalez A, Garrido PM, Cuniolo A, Porrini LP, Eguaras MJ, Porrini MP: Sub-lethal effects of the consumption of Eupatorium buniifolium essential oil in honeybees. PLoS One. 2020 Nov 4;15(11):e0241666. doi: 10.1371/journal.pone.0241666. eCollection 2020. [PubMed:33147299 ]
- Zeng M, Wilson KR: Efficient Coupling of Reaction Pathways of Criegee Intermediates and Free Radicals in the Heterogeneous Ozonolysis of Alkenes. J Phys Chem Lett. 2020 Aug 20;11(16):6580-6585. doi: 10.1021/acs.jpclett.0c01823. Epub 2020 Aug 3. [PubMed:32787230 ]
- LOTUS database [Link]
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