Record Information |
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Version | 2.0 |
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Created at | 2024-09-29 23:59:58 UTC |
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Updated at | 2024-11-01 00:17:42 UTC |
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NP-MRD ID | NP0341842 |
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Natural Product DOI | https://doi.org/10.57994/3328 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | goondapyrone C |
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Description | Goondapyrone C belongs to the class of organic compounds known as diterpenoids. These are terpene compounds formed by four isoprene units. Based on a literature review very few articles have been published on goondapyrone C. |
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Structure | COC1=C(C)C(=O)C(C)=C(C\C=C(/C)C\C=C\C(\C)=C\[C@@H](C)[C@@H](O)C(\C)=C\C(C)C)O1 InChI=1S/C27H40O4/c1-17(2)15-20(5)25(28)21(6)16-19(4)12-10-11-18(3)13-14-24-22(7)26(29)23(8)27(30-9)31-24/h10,12-13,15-17,21,25,28H,11,14H2,1-9H3/b12-10+,18-13+,19-16+,20-15+/t21-,25+/m1/s1 |
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Synonyms | Not Available |
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Chemical Formula | C27H40O4 |
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Average Mass | 428.6130 Da |
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Monoisotopic Mass | 428.29266 Da |
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IUPAC Name | 2-[(2E,5E,7E,9R,10R,11E)-10-hydroxy-3,7,9,11,13-pentamethyltetradeca-2,5,7,11-tetraen-1-yl]-6-methoxy-3,5-dimethyl-4H-pyran-4-one |
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Traditional Name | 2-[(2E,5E,7E,9R,10R,11E)-10-hydroxy-3,7,9,11,13-pentamethyltetradeca-2,5,7,11-tetraen-1-yl]-6-methoxy-3,5-dimethylpyran-4-one |
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CAS Registry Number | Not Available |
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SMILES | COC1=C(C)C(=O)C(C)=C(C\C=C(/C)C\C=C\C(\C)=C\[C@@H](C)[C@@H](O)C(\C)=C\C(C)C)O1 |
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InChI Identifier | InChI=1S/C27H40O4/c1-17(2)15-20(5)25(28)21(6)16-19(4)12-10-11-18(3)13-14-24-22(7)26(29)23(8)27(30-9)31-24/h10,12-13,15-17,21,25,28H,11,14H2,1-9H3/b12-10+,18-13+,19-16+,20-15+/t21-,25+/m1/s1 |
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InChI Key | VAVJZOVZQQNLKO-KKBWMKERSA-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, 600 MHz, C2D6OS, experimental) | shengbin.j@gmail.com | University of Queensland | Shengbin Jin | 2024-09-30 | View Spectrum | ROESY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental) | shengbin.j@gmail.com | University of Queensland | Shengbin Jin | 2024-09-30 | View Spectrum | COSY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental) | shengbin.j@gmail.com | University of Queensland | Shengbin Jin | 2024-09-30 | View Spectrum | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental) | shengbin.j@gmail.com | University of Queensland | Shengbin Jin | 2024-09-30 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, C2D6OS, experimental) | shengbin.j@gmail.com | University of Queensland | Shengbin Jin | 2024-09-30 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 151 MHz, C2D6OS, experimental) | shengbin.j@gmail.com | University of Queensland | Shengbin Jin | 2024-09-30 | View Spectrum |
| Predicted Spectra |
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| Spectrum Type | Description | Depositor ID | Depositor Organization | Depositor | Deposition Date | View |
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| 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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sp. S4S-00196A10 | | |
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Chemical Taxonomy |
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Description | This compound belongs to the class of organic compounds known as diterpenoids. These are terpene compounds formed by four isoprene units. |
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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 | Diterpenoids |
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Direct Parent | Diterpenoids |
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Alternative Parents | |
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Substituents | - Diterpenoid
- Pyranone
- Alkyl aryl ether
- Alpha-branched alpha,beta-unsaturated-ketone
- Pyran
- Heteroaromatic compound
- Vinylogous ester
- Alpha,beta-unsaturated ketone
- Enone
- Acryloyl-group
- Cyclic ketone
- Secondary alcohol
- Ketone
- Oxacycle
- Organoheterocyclic compound
- Ether
- 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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