Record Information |
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Version | 1.0 |
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Created at | 2023-10-13 12:23:40 UTC |
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Updated at | 2024-04-19 09:57:06 UTC |
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NP-MRD ID | NP0331975 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Eremolatane F |
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Description | Based on a literature review very few articles have been published on (5R,7R,8S)-3,4,7-trihydroxy-8-[(2S)-7-methoxy-6-methyl-7-oxoheptan-2-yl]-5-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid. |
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Structure | [H][C@](C)(CCCC(C)C(=O)OC)[C@]1([H])[C@H](O)C[C@@H](C)C2=C1C=C(C(O)=O)C(O)=C2O InChI=1S/C21H30O7/c1-10(6-5-7-11(2)21(27)28-4)16-13-9-14(20(25)26)18(23)19(24)17(13)12(3)8-15(16)22/h9-12,15-16,22-24H,5-8H2,1-4H3,(H,25,26)/t10-,11?,12+,15+,16-/m0/s1 |
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Synonyms | Value | Source |
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(5R,7R,8S)-3,4,7-Trihydroxy-8-[(2S)-7-methoxy-6-methyl-7-oxoheptan-2-yl]-5-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxylate | Generator |
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Chemical Formula | C21H30O7 |
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Average Mass | 394.4640 Da |
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Monoisotopic Mass | 394.19915 Da |
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IUPAC Name | (5R,7R,8S)-3,4,7-trihydroxy-8-[(2S)-7-methoxy-6-methyl-7-oxoheptan-2-yl]-5-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid |
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Traditional Name | (5R,7R,8S)-3,4,7-trihydroxy-8-[(2S)-7-methoxy-6-methyl-7-oxoheptan-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)(CCCC(C)C(=O)OC)[C@]1([H])[C@H](O)C[C@@H](C)C2=C1C=C(C(O)=O)C(O)=C2O |
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InChI Identifier | InChI=1S/C21H30O7/c1-10(6-5-7-11(2)21(27)28-4)16-13-9-14(20(25)26)18(23)19(24)17(13)12(3)8-15(16)22/h9-12,15-16,22-24H,5-8H2,1-4H3,(H,25,26)/t10-,11?,12+,15+,16-/m0/s1 |
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InChI Key | QAXGJLBRJMSWEY-COLXQZHVSA-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 | [13C, ] NMR Spectrum (2D, 151 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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