Record Information |
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Version | 1.0 |
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Created at | 2023-10-13 12:22:39 UTC |
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Updated at | 2024-04-19 09:57:04 UTC |
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NP-MRD ID | NP0331974 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Eremolatane D |
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Description | Based on a literature review very few articles have been published on (5R,8S)-4-hydroxy-5-methyl-8-[(2S)-5,6,7-trihydroxy-6-methylheptan-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid. |
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Structure | [H][C@](C)(CCC(O)C(C)(O)CO)[C@]1([H])CC[C@@H](C)C2=C1C=C(C=C2O)C(O)=O InChI=1S/C20H30O6/c1-11(5-7-17(23)20(3,26)10-21)14-6-4-12(2)18-15(14)8-13(19(24)25)9-16(18)22/h8-9,11-12,14,17,21-23,26H,4-7,10H2,1-3H3,(H,24,25)/t11-,12+,14-,17?,20?/m0/s1 |
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Synonyms | Value | Source |
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(5R,8S)-4-Hydroxy-5-methyl-8-[(2S)-5,6,7-trihydroxy-6-methylheptan-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxylate | Generator |
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Chemical Formula | C20H30O6 |
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Average Mass | 366.4540 Da |
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Monoisotopic Mass | 366.20424 Da |
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IUPAC Name | (5R,8S)-4-hydroxy-5-methyl-8-[(2S)-5,6,7-trihydroxy-6-methylheptan-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid |
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Traditional Name | (5R,8S)-4-hydroxy-5-methyl-8-[(2S)-5,6,7-trihydroxy-6-methylheptan-2-yl]-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)(CCC(O)C(C)(O)CO)[C@]1([H])CC[C@@H](C)C2=C1C=C(C=C2O)C(O)=O |
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InChI Identifier | InChI=1S/C20H30O6/c1-11(5-7-17(23)20(3,26)10-21)14-6-4-12(2)18-15(14)8-13(19(24)25)9-16(18)22/h8-9,11-12,14,17,21-23,26H,4-7,10H2,1-3H3,(H,24,25)/t11-,12+,14-,17?,20?/m0/s1 |
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InChI Key | PUHUHJOKQKBQHX-NZODZSCSSA-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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