Record Information |
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Version | 2.0 |
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Created at | 2024-05-02 09:30:07 UTC |
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Updated at | 2024-11-01 01:37:31 UTC |
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NP-MRD ID | NP0332954 |
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Natural Product DOI | https://doi.org/10.57994/2236 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | pseuboyene I |
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Description | Pseuboyene I belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units. Based on a literature review very few articles have been published on pseuboyene I. |
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Structure | C[C@@H]([C@H](O)C(=O)C=C(C)C)[C@H]1C[C@@H](O)CCC1=C InChI=1S/C15H24O3/c1-9(2)7-14(17)15(18)11(4)13-8-12(16)6-5-10(13)3/h7,11-13,15-16,18H,3,5-6,8H2,1-2,4H3/t11-,12+,13+,15+/m1/s1 |
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Synonyms | Not Available |
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Chemical Formula | C15H24O3 |
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Average Mass | 252.3540 Da |
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Monoisotopic Mass | 252.17254 Da |
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IUPAC Name | (5S,6R)-5-hydroxy-6-[(1R,5S)-5-hydroxy-2-methylidenecyclohexyl]-2-methylhept-2-en-4-one |
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Traditional Name | (5S,6R)-5-hydroxy-6-[(1R,5S)-5-hydroxy-2-methylidenecyclohexyl]-2-methylhept-2-en-4-one |
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CAS Registry Number | Not Available |
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SMILES | C[C@@H]([C@H](O)C(=O)C=C(C)C)[C@H]1C[C@@H](O)CCC1=C |
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InChI Identifier | InChI=1S/C15H24O3/c1-9(2)7-14(17)15(18)11(4)13-8-12(16)6-5-10(13)3/h7,11-13,15-16,18H,3,5-6,8H2,1-2,4H3/t11-,12+,13+,15+/m1/s1 |
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InChI Key | TXTBUAWJYGJKQP-OSFYFWSMSA-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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COSY NMR | [1H, 1H] NMR Spectrum (2D, 500 MHz, C2D6OS, experimental) | m8545303@163.com | Institute of Oceanology, Chinese Academy of Sciences | Linghong Meng | 2024-05-02 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 126 MHz, C2D6OS, experimental) | m8545303@163.com | Institute of Oceanology, Chinese Academy of Sciences | Linghong Meng | 2024-05-02 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 126 MHz, C2D6OS, experimental) | m8545303@163.com | Institute of Oceanology, Chinese Academy of Sciences | Linghong Meng | 2024-05-02 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 126 MHz, C2D6OS, experimental) | m8545303@163.com | Institute of Oceanology, Chinese Academy of Sciences | Linghong Meng | 2024-05-02 | View Spectrum | NOESY NMR | [1H, 1H] NMR Spectrum (2D, 500 MHz, CDCl3, experimental) | m8545303@163.com | Institute of Oceanology, Chinese Academy of Sciences | Linghong Meng | 2024-05-02 | View Spectrum | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 500 MHz, C2D6OS, experimental) | m8545303@163.com | Institute of Oceanology, Chinese Academy of Sciences | Linghong Meng | 2024-05-02 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, C2D6OS, experimental) | m8545303@163.com | Institute of Oceanology, Chinese Academy of Sciences | Linghong Meng | 2024-05-02 | View Spectrum | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 500 MHz, C2D6OS, experimental) | m8545303@163.com | Institute of Oceanology, Chinese Academy of Sciences | Linghong Meng | 2024-05-02 | 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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boydii | | |
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Chemical Taxonomy |
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Description | This compound belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive 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 | Sesquiterpenoids |
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Direct Parent | Sesquiterpenoids |
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Alternative Parents | |
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Substituents | - Sesquiterpenoid
- Acyloin
- Alpha,beta-unsaturated ketone
- Enone
- Cyclic alcohol
- Alpha-hydroxy ketone
- Acryloyl-group
- Secondary alcohol
- Ketone
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Alcohol
- Aliphatic homomonocyclic compound
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Molecular Framework | Aliphatic homomonocyclic 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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