Record Information |
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Version | 2.0 |
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Created at | 2024-03-19 09:49:20 UTC |
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Updated at | 2024-11-01 01:38:11 UTC |
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NP-MRD ID | NP0332680 |
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Natural Product DOI | https://doi.org/10.57994/1940 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | alternapyrone H |
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Description | Alternapyrone H belongs to the class of organic compounds known as diterpene lactones. These are diterpenoids containing a lactone moiety. Based on a literature review very few articles have been published on alternapyrone H. |
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Structure | CCC(C)\C=C(/CO)CCCC(\C=C(/C)\C=C(/C)CC(C)C1=C(C)C(O)=C(C)C(=O)O1)C(O)=O InChI=1/C28H42O6/c1-8-17(2)14-23(16-29)10-9-11-24(27(31)32)15-19(4)12-18(3)13-20(5)26-21(6)25(30)22(7)28(33)34-26/h12,14-15,17,20,24,29-30H,8-11,13,16H2,1-7H3,(H,31,32)/b18-12+,19-15+,23-14- |
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Synonyms | Not Available |
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Chemical Formula | C28H42O6 |
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Average Mass | 474.6380 Da |
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Monoisotopic Mass | 474.29814 Da |
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IUPAC Name | (6Z)-2-[(1E,3E)-6-(4-hydroxy-3,5-dimethyl-2-oxo-2H-pyran-6-yl)-2,4-dimethylhepta-1,3-dien-1-yl]-6-(hydroxymethyl)-8-methyldec-6-enoic acid |
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Traditional Name | (6Z)-2-[(1E,3E)-6-(4-hydroxy-3,5-dimethyl-6-oxopyran-2-yl)-2,4-dimethylhepta-1,3-dien-1-yl]-6-(hydroxymethyl)-8-methyldec-6-enoic acid |
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CAS Registry Number | Not Available |
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SMILES | CCC(C)\C=C(/CO)CCCC(\C=C(/C)\C=C(/C)CC(C)C1=C(C)C(O)=C(C)C(=O)O1)C(O)=O |
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InChI Identifier | InChI=1/C28H42O6/c1-8-17(2)14-23(16-29)10-9-11-24(27(31)32)15-19(4)12-18(3)13-20(5)26-21(6)25(30)22(7)28(33)34-26/h12,14-15,17,20,24,29-30H,8-11,13,16H2,1-7H3,(H,31,32)/b18-12+,19-15+,23-14- |
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InChI Key | PYRMVXWEDUHREB-SYRRBLNONA-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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HMBC NMR | [1H, 13C] NMR Spectrum (2D, 700 MHz, C2D6OS, experimental) | wangjunfeng@scsio.ac.cn | South China Sea Institute of Oceanology, Chinese Academy of Sciencese | Junfeng Wang | 2024-03-19 | View Spectrum | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 700 MHz, C2D6OS, 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, 700 MHz, C2D6OS, 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, 700 MHz, C2D6OS, 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, 700 MHz, C2D6OS, experimental) | wangjunfeng@scsio.ac.cn | South China Sea Institute of Oceanology, Chinese Academy of Sciencese | Junfeng Wang | 2024-03-19 | View Spectrum | 1D_DEPT NMR | 13C NMR Spectrum (1D, 176 MHz, C2D6OS, 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, 176 MHz, C2D6OS, 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, 700 MHz, C2D6OS, 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, 700.18490126, C2D6OS, 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 | Species Name | Source | Reference |
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arundinis | | |
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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
- Long chain fatty alcohol
- Fatty alcohol
- Pyranone
- Fatty acid ester
- Fatty acyl
- Pyran
- Heteroaromatic compound
- Vinylogous acid
- Alpha,beta-unsaturated carboxylic ester
- Enoate ester
- 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
- Alcohol
- 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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