Record Information |
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Version | 2.0 |
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Created at | 2024-05-11 06:40:57 UTC |
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Updated at | 2024-09-03 04:21:16 UTC |
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NP-MRD ID | NP0333135 |
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Natural Product DOI | https://doi.org/10.57994/2435 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Sinulalide A |
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Description | Sinulalide A belongs to the class of organic compounds known as terpene lactones. These are prenol lipids containing a lactone ring. Sinulalide A was first documented in 2023 (PMID: 36828101). Based on a literature review very few articles have been published on Sinulalide A. |
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Structure | COC1(CC(C)CCCC(=C)C=C)OC(=O)[C@@H](C)[C@H]1O InChI=1S/C16H26O4/c1-6-11(2)8-7-9-12(3)10-16(19-5)14(17)13(4)15(18)20-16/h6,12-14,17H,1-2,7-10H2,3-5H3/t12?,13-,14+,16?/m0/s1 |
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Synonyms | Not Available |
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Chemical Formula | C16H26O4 |
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Average Mass | 282.3800 Da |
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Monoisotopic Mass | 282.18311 Da |
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IUPAC Name | (3S,4R)-4-hydroxy-5-methoxy-3-methyl-5-(2-methyl-6-methylideneoct-7-en-1-yl)oxolan-2-one |
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Traditional Name | (3S,4R)-4-hydroxy-5-methoxy-3-methyl-5-(2-methyl-6-methylideneoct-7-en-1-yl)oxolan-2-one |
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CAS Registry Number | Not Available |
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SMILES | COC1(CC(C)CCCC(=C)C=C)OC(=O)[C@@H](C)[C@H]1O |
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InChI Identifier | InChI=1S/C16H26O4/c1-6-11(2)8-7-9-12(3)10-16(19-5)14(17)13(4)15(18)20-16/h6,12-14,17H,1-2,7-10H2,3-5H3/t12?,13-,14+,16?/m0/s1 |
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InChI Key | BIIXYXUGLPBCSV-IOSBVQAASA-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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1D NMR | 1H NMR Spectrum (1D, 600 MHz, CDCl3, experimental) | yanxia@nbu.edu.cn | Not Available | Not Available | 2024-05-11 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, CDCl3, experimental) | yanxia@nbu.edu.cn | Not Available | Not Available | 2024-05-11 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, CDCl3, experimental) | yanxia@nbu.edu.cn | Not Available | Not Available | 2024-05-11 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, CDCl3, experimental) | yanxia@nbu.edu.cn | Not Available | Not Available | 2024-05-11 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, CDCl3, experimental) | yanxia@nbu.edu.cn | Not Available | Not Available | 2024-05-11 | View Spectrum | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, CDCl3, experimental) | yanxia@nbu.edu.cn | Not Available | Not Available | 2024-05-11 | View Spectrum | 1D_DEPT NMR | 13C NMR Spectrum (1D, 151 MHz, CDCl3, experimental) | yanxia@nbu.edu.cn | Not Available | Not Available | 2024-05-11 | View Spectrum | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, CDCl3, experimental) | yanxia@nbu.edu.cn | Not Available | Not Available | 2024-05-11 | View Spectrum | COSY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, CDCl3, experimental) | yanxia@nbu.edu.cn | Not Available | Not Available | 2024-05-11 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, CDCl3, experimental) | yanxia@nbu.edu.cn | Not Available | Not Available | 2024-05-11 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 151 MHz, CDCl3, experimental) | yanxia@nbu.edu.cn | Not Available | Not Available | 2024-05-11 | 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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scabra | | |
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Chemical Taxonomy |
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Description | This compound belongs to the class of organic compounds known as terpene lactones. These are prenol lipids containing a lactone ring. |
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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 | Terpene lactones |
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Alternative Parents | |
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Substituents | - Terpene lactone
- Farsesane sesquiterpenoid
- Sesquiterpenoid
- Fatty alcohol ester
- Ketal
- Beta-hydroxy acid
- Monosaccharide
- Hydroxy acid
- Gamma butyrolactone
- Tetrahydrofuran
- Secondary alcohol
- Lactone
- Carboxylic acid ester
- Oxacycle
- Organoheterocyclic compound
- Monocarboxylic acid or derivatives
- Carboxylic acid derivative
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Alcohol
- Aliphatic heteromonocyclic compound
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Molecular Framework | Aliphatic 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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