Record Information |
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Version | 2.0 |
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Created at | 2024-09-30 06:51:50 UTC |
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Updated at | 2024-10-02 00:04:07 UTC |
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NP-MRD ID | NP0341858 |
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Natural Product DOI | https://doi.org/10.57994/3346 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Goniotortilol B |
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Description | Goniotortilol B belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid. Based on a literature review very few articles have been published on Goniotortilol B. |
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Structure | COC(=O)\C=C/[C@H]1O[C@H]([C@@H](O)[C@H]1O)C1=CC=CC=C1 InChI=1S/C14H16O5/c1-18-11(15)8-7-10-12(16)13(17)14(19-10)9-5-3-2-4-6-9/h2-8,10,12-14,16-17H,1H3/b8-7-/t10-,12+,13+,14+/m1/s1 |
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Synonyms | Not Available |
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Chemical Formula | C14H16O5 |
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Average Mass | 264.2770 Da |
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Monoisotopic Mass | 264.09977 Da |
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IUPAC Name | methyl (2Z)-3-[(2R,3R,4S,5S)-3,4-dihydroxy-5-phenyloxolan-2-yl]prop-2-enoate |
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Traditional Name | methyl (2Z)-3-[(2R,3R,4S,5S)-3,4-dihydroxy-5-phenyloxolan-2-yl]prop-2-enoate |
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CAS Registry Number | Not Available |
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SMILES | COC(=O)\C=C/[C@H]1O[C@H]([C@@H](O)[C@H]1O)C1=CC=CC=C1 |
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InChI Identifier | InChI=1S/C14H16O5/c1-18-11(15)8-7-10-12(16)13(17)14(19-10)9-5-3-2-4-6-9/h2-8,10,12-14,16-17H,1H3/b8-7-/t10-,12+,13+,14+/m1/s1 |
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InChI Key | RPVHKGAWBLPQGT-LOIITIQFSA-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, CDCl3, experimental) | surat.lap@mfu.ac.th | Mae Fah Luang University | Surat Laphookhieo | 2024-09-30 | View Spectrum | COSY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, CDCl3, experimental) | surat.lap@mfu.ac.th | Mae Fah Luang University | Surat Laphookhieo | 2024-09-30 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, CDCl3, experimental) | surat.lap@mfu.ac.th | Mae Fah Luang University | Surat Laphookhieo | 2024-09-30 | View Spectrum | ROESY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, CDCl3, experimental) | surat.lap@mfu.ac.th | Mae Fah Luang University | Surat Laphookhieo | 2024-09-30 | View Spectrum | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, CDCl3, experimental) | surat.lap@mfu.ac.th | Mae Fah Luang University | Surat Laphookhieo | 2024-09-30 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 151 MHz, CDCl3, experimental) | surat.lap@mfu.ac.th | Mae Fah Luang University | Surat Laphookhieo | 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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tortilipetalus | | |
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Chemical Taxonomy |
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Description | This compound belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid. |
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Kingdom | Organic compounds |
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Super Class | Lipids and lipid-like molecules |
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Class | Fatty Acyls |
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Sub Class | Fatty acid esters |
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Direct Parent | Fatty acid esters |
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Alternative Parents | |
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Substituents | - Fatty acid ester
- Benzenoid
- Monosaccharide
- Monocyclic benzene moiety
- Alpha,beta-unsaturated carboxylic ester
- Enoate ester
- Methyl ester
- Tetrahydrofuran
- Secondary alcohol
- Carboxylic acid ester
- Oxacycle
- Organoheterocyclic compound
- Monocarboxylic acid or derivatives
- Ether
- Dialkyl ether
- 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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