Record Information |
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Version | 2.0 |
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Created at | 2024-01-04 12:11:55 UTC |
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Updated at | 2024-09-03 04:18:51 UTC |
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NP-MRD ID | NP0332336 |
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Natural Product DOI | https://doi.org/10.57994/1538 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Eugeniinaline B |
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Description | Eugeniinaline B was first documented in 2024 (PMID: 38284153). |
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Structure | [H][C@]12OCC[C@@]1(CC)[C@H](O)CCN2CC[C@]1(O)C(=O)NC2=CC=CC=C12 InChI=1S/C19H26N2O4/c1-2-18-9-12-25-17(18)21(10-7-15(18)22)11-8-19(24)13-5-3-4-6-14(13)20-16(19)23/h3-6,15,17,22,24H,2,7-12H2,1H3,(H,20,23)/t15-,17+,18+,19-/m1/s1 |
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Synonyms | Not Available |
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Chemical Formula | C19H26N2O4 |
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Average Mass | 346.4270 Da |
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Monoisotopic Mass | 346.18926 Da |
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IUPAC Name | (3R)-3-{2-[(3aS,4R,7aS)-3a-ethyl-4-hydroxy-octahydrofuro[2,3-b]pyridin-7-yl]ethyl}-3-hydroxy-2,3-dihydro-1H-indol-2-one |
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Traditional Name | (3R)-3-{2-[(3aS,4R,7aS)-3a-ethyl-4-hydroxy-hexahydrofuro[2,3-b]pyridin-7-yl]ethyl}-3-hydroxy-1H-indol-2-one |
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CAS Registry Number | Not Available |
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SMILES | [H][C@]12OCC[C@@]1(CC)[C@H](O)CCN2CC[C@]1(O)C(=O)NC2=CC=CC=C12 |
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InChI Identifier | InChI=1S/C19H26N2O4/c1-2-18-9-12-25-17(18)21(10-7-15(18)22)11-8-19(24)13-5-3-4-6-14(13)20-16(19)23/h3-6,15,17,22,24H,2,7-12H2,1H3,(H,20,23)/t15-,17+,18+,19-/m1/s1 |
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InChI Key | YMDAGBAWUHRFIV-XGXHKWSGSA-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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1D NMR | 1H NMR Spectrum (1D, 600 MHz, CDCl3, experimental) | yylow@um.edu.my | Not Available | Not Available | 2024-05-03 | View Spectrum | 1D_DEPT NMR | 13C NMR Spectrum (1D, 151 MHz, CDCl3, experimental) | yylow@um.edu.my | Not Available | Not Available | 2024-05-03 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, CDCl3, experimental) | yylow@um.edu.my | Not Available | Not Available | 2024-01-04 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, CDCl3, experimental) | yylow@um.edu.my | Not Available | Not Available | 2024-01-04 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, CDCl3, experimental) | yylow@um.edu.my | Not Available | Not Available | 2024-01-04 | View Spectrum | NOESY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, CDCl3, experimental) | yylow@um.edu.my | Not Available | Not Available | 2024-01-04 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, CDCl3, experimental) | yylow@um.edu.my | Not Available | Not Available | 2024-01-04 | View Spectrum | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, CDCl3, experimental) | yylow@um.edu.my | Not Available | Not Available | 2024-01-04 | View Spectrum | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, CDCl3, experimental) | yylow@um.edu.my | Not Available | Not Available | 2024-01-04 | View Spectrum | COSY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, CDCl3, experimental) | yylow@um.edu.my | Not Available | Not Available | 2024-01-04 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 151 MHz, CDCl3, experimental) | yylow@um.edu.my | Not Available | Not Available | 2024-01-04 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, CDCl3, experimental) | yylow@um.edu.my | Not Available | Not Available | 2024-01-04 | 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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| Spectrum Type | Description | Depositor Email | Depositor Organization | Depositor | Deposition Date | View |
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1D NMR | 1H NMR Spectrum (1D, 600.13300065, CDCl3, simulated) | yylow@um.edu.my | Department of Chemistry, Faculty of Science, Universiti Malaya | Yun-Yee Low | 2024-05-03 | View Spectrum |
| Species |
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Species of Origin | Species Name | Source | Reference |
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eugeniifolia | | |
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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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