Record Information |
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Version | 2.0 |
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Created at | 2023-10-13 12:13:01 UTC |
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Updated at | 2024-09-03 04:17:34 UTC |
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NP-MRD ID | NP0331968 |
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Natural Product DOI | https://doi.org/10.57994/1087 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Eremolatane M |
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Description | Based on a literature review very few articles have been published on (5R,8S)-8-[(2S,5Z)-7-hydroxy-6-methylhept-5-en-2-yl]-5-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid. |
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Structure | [H][C@](C)(CC\C=C(/C)CO)[C@]1([H])CC[C@@H](C)C2=C1C=C(C=C2)C(O)=O InChI=1S/C20H28O3/c1-13(12-21)5-4-6-14(2)17-9-7-15(3)18-10-8-16(20(22)23)11-19(17)18/h5,8,10-11,14-15,17,21H,4,6-7,9,12H2,1-3H3,(H,22,23)/b13-5+/t14-,15+,17-/m0/s1 |
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Synonyms | Value | Source |
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(5R,8S)-8-[(2S,5Z)-7-Hydroxy-6-methylhept-5-en-2-yl]-5-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxylate | Generator |
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Chemical Formula | C20H28O3 |
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Average Mass | 316.4410 Da |
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Monoisotopic Mass | 316.20384 Da |
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IUPAC Name | (5R,8S)-8-[(2S,5E)-7-hydroxy-6-methylhept-5-en-2-yl]-5-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid |
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Traditional Name | (5R,8S)-8-[(2S,5E)-7-hydroxy-6-methylhept-5-en-2-yl]-5-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid |
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CAS Registry Number | Not Available |
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SMILES | [H][C@](C)(CC\C=C(/C)CO)[C@]1([H])CC[C@@H](C)C2=C1C=C(C=C2)C(O)=O |
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InChI Identifier | InChI=1S/C20H28O3/c1-13(12-21)5-4-6-14(2)17-9-7-15(3)18-10-8-16(20(22)23)11-19(17)18/h5,8,10-11,14-15,17,21H,4,6-7,9,12H2,1-3H3,(H,22,23)/b13-5+/t14-,15+,17-/m0/s1 |
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InChI Key | ASLLTPUQYLADFR-AMWFOUQDSA-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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ROESY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, CD3OD, experimental) | zhaoyong1990224@gmail.com | Not Available | Not Available | 2023-10-13 | View Spectrum | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental) | zhaoyong1990224@gmail.com | Not Available | Not Available | 2023-10-13 | View Spectrum | COSY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, CD3OD, experimental) | zhaoyong1990224@gmail.com | Not Available | Not Available | 2023-10-13 | View Spectrum | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental) | zhaoyong1990224@gmail.com | Not Available | Not Available | 2023-10-13 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, CD3OD, experimental) | zhaoyong1990224@gmail.com | Not Available | Not Available | 2023-10-13 | 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 | Not Available |
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Chemical Taxonomy |
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Classification | Not classified |
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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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