| Record Information |
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| Version | 2.0 |
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| Created at | 2024-03-19 09:45:07 UTC |
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| Updated at | 2025-02-11 15:42:49 UTC |
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| NP-MRD ID | NP0332679 |
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| Natural Product DOI | https://doi.org/10.57994/1939 |
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| Secondary Accession Numbers | None |
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| Natural Product Identification |
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| Common Name | alternapyrone G |
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| Description | Alternapyrone G belongs to the class of organic compounds known as diterpene lactones. These are diterpenoids containing a lactone moiety. alternapyrone G was first documented in 2024 (PMID: 38687877). Based on a literature review very few articles have been published on alternapyrone G. |
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| Structure | CC(C\C(C)=C\C(\C)=C\C(CCCC1=CC(C)=C(C)O1)C(O)=O)C1=C(C)C(O)=C(C)C(=O)O1 InChI=1/C27H36O6/c1-15(12-18(4)25-19(5)24(28)20(6)27(31)33-25)11-16(2)13-22(26(29)30)9-8-10-23-14-17(3)21(7)32-23/h11,13-14,18,22,28H,8-10,12H2,1-7H3,(H,29,30)/b15-11+,16-13+ |
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| Synonyms | Not Available |
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| Chemical Formula | C27H36O6 |
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| Average Mass | 456.5790 Da |
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| Monoisotopic Mass | 456.25119 Da |
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| IUPAC Name | (3E,5E)-2-[3-(4,5-dimethylfuran-2-yl)propyl]-8-(4-hydroxy-3,5-dimethyl-2-oxo-2H-pyran-6-yl)-4,6-dimethylnona-3,5-dienoic acid |
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| Traditional Name | (3E,5E)-2-[3-(4,5-dimethylfuran-2-yl)propyl]-8-(4-hydroxy-3,5-dimethyl-6-oxopyran-2-yl)-4,6-dimethylnona-3,5-dienoic acid |
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| CAS Registry Number | Not Available |
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| SMILES | CC(C\C(C)=C\C(\C)=C\C(CCCC1=CC(C)=C(C)O1)C(O)=O)C1=C(C)C(O)=C(C)C(=O)O1 |
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| InChI Identifier | InChI=1/C27H36O6/c1-15(12-18(4)25-19(5)24(28)20(6)27(31)33-25)11-16(2)13-22(26(29)30)9-8-10-23-14-17(3)21(7)32-23/h11,13-14,18,22,28H,8-10,12H2,1-7H3,(H,29,30)/b15-11+,16-13+ |
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| InChI Key | XJAUYWSCEOOIHZ-NWFDBUFXNA-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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| HSQC NMR | [1H, 13C] NMR Spectrum (2D, 500 MHz, CDCl3, experimental) | wangjunfeng@scsio.ac.cn | South China Sea Institute of Oceanology, Chinese Academy of Sciencese | Junfeng Wang | 2024-03-19 | View Spectrum | | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 500 MHz, CDCl3, experimental) | wangjunfeng@scsio.ac.cn | South China Sea Institute of Oceanology, Chinese Academy of Sciencese | Junfeng Wang | 2024-03-19 | View Spectrum | | COSY NMR | [1H, 1H] NMR Spectrum (2D, 500 MHz, CDCl3, experimental) | wangjunfeng@scsio.ac.cn | South China Sea Institute of Oceanology, Chinese Academy of Sciencese | Junfeng Wang | 2024-03-19 | View Spectrum | | 1D_ NMR | 1H NMR Spectrum (1D, 500 MHz, CDCl3, experimental) | wangjunfeng@scsio.ac.cn | South China Sea Institute of Oceanology, Chinese Academy of Sciencese | Junfeng Wang | 2024-03-19 | View Spectrum | | 1D_ NMR | 13C NMR Spectrum (1D, 126 MHz, CDCl3, experimental) | wangjunfeng@scsio.ac.cn | South China Sea Institute of Oceanology, Chinese Academy of Sciencese | Junfeng Wang | 2024-03-19 | View Spectrum | | 1D_ NMR | 13C NMR Spectrum (1D, 126 MHz, CDCl3, experimental) | wangjunfeng@scsio.ac.cn | South China Sea Institute of Oceanology, Chinese Academy of Sciencese | Junfeng Wang | 2024-03-19 | View Spectrum | | 1D_ NMR | 1H NMR Spectrum (1D, 500 MHz, CDCl3, experimental) | wangjunfeng@scsio.ac.cn | South China Sea Institute of Oceanology, Chinese Academy of Sciencese | Junfeng Wang | 2024-03-19 | View Spectrum |
| | Predicted Spectra |
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| Not Available | | Chemical Shift Submissions |
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| | Spectrum Type | Description | Depositor Email | Depositor Organization | Depositor | Deposition Date | View |
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| 1D NMR | 1H NMR Spectrum (1D, 500, CDCl3, simulated) | wangjunfeng@scsio.ac.cn | South China Sea Institute of Oceanology, Chinese Academy of Sciencese | Junfeng Wang | 2024-03-19 | View Spectrum |
| | Species |
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| Species of Origin | |
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| Chemical Taxonomy |
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| Description | This compound belongs to the class of organic compounds known as diterpene lactones. These are diterpenoids containing a lactone moiety. |
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| Kingdom | Organic compounds |
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| Super Class | Lipids and lipid-like molecules |
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| Class | Prenol lipids |
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| Sub Class | Terpene lactones |
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| Direct Parent | Diterpene lactones |
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| Alternative Parents | |
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| Substituents | - Diterpenoid
- Diterpene lactone
- Pyranone
- Fatty acid ester
- Fatty acyl
- Pyran
- Heteroaromatic compound
- Vinylogous acid
- Alpha,beta-unsaturated carboxylic ester
- Enoate ester
- Furan
- Enol ester
- Lactone
- Carboxylic acid ester
- Oxacycle
- Organoheterocyclic compound
- Monocarboxylic acid or derivatives
- Carboxylic acid
- Carboxylic acid derivative
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Aromatic heteromonocyclic compound
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| Molecular Framework | Aromatic heteromonocyclic compounds |
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| External Descriptors | Not Available |
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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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