Record Information |
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Version | 1.0 |
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Created at | 2023-10-13 12:20:03 UTC |
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Updated at | 2024-04-19 09:57:00 UTC |
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NP-MRD ID | NP0331972 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Eremolatane B |
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Description | Based on a literature review very few articles have been published on (5R,7R,8S)-4,7-dihydroxy-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])[C@H](O)C[C@@H](C)C2=C(O)C=C(C=C12)C(O)=O InChI=1S/C20H28O5/c1-11(10-21)5-4-6-12(2)18-15-8-14(20(24)25)9-17(23)19(15)13(3)7-16(18)22/h5,8-9,12-13,16,18,21-23H,4,6-7,10H2,1-3H3,(H,24,25)/b11-5+/t12-,13+,16+,18-/m0/s1 |
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Synonyms | Value | Source |
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(5R,7R,8S)-4,7-Dihydroxy-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 | C20H28O5 |
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Average Mass | 348.4390 Da |
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Monoisotopic Mass | 348.19367 Da |
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IUPAC Name | (5R,7R,8S)-4,7-dihydroxy-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,7R,8S)-4,7-dihydroxy-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])[C@H](O)C[C@@H](C)C2=C(O)C=C(C=C12)C(O)=O |
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InChI Identifier | InChI=1S/C20H28O5/c1-11(10-21)5-4-6-12(2)18-15-8-14(20(24)25)9-17(23)19(15)13(3)7-16(18)22/h5,8-9,12-13,16,18,21-23H,4,6-7,10H2,1-3H3,(H,24,25)/b11-5+/t12-,13+,16+,18-/m0/s1 |
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InChI Key | MJWLHCMBYVZEKW-ABUKBMIXSA-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 (2D, 600 MHz, CD3OD, experimental) | zhaoyong1990224@gmail.com | Not Available | Not Available | 2023-10-13 | View Spectrum |
| Predicted Spectra |
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| Not Available | 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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