| Record Information |
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| Version | 2.0 |
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| Created at | 2025-04-15 09:52:46 UTC |
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| Updated at | 2025-06-10 23:53:10 UTC |
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| NP-MRD ID | NP0350962 |
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| Natural Product DOI | https://doi.org/10.57994/3947 |
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| Secondary Accession Numbers | None |
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| Natural Product Identification |
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| Common Name | Asteltoxin T |
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| Description | Based on a literature review very few articles have been published on Asteltoxin T. |
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| Structure | [H][C@]12O[C@H](CC)[C@](C)(O)[C@@]1(C)[C@@H](O)[C@]([H])(O2)[C@H](O)[C@@H](OC)\C=C\C=C\C1=C(C)C(OC)=CC(=O)O1 InChI=1S/C24H34O9/c1-7-17-24(4,28)23(3)21(27)20(33-22(23)32-17)19(26)15(29-5)11-9-8-10-14-13(2)16(30-6)12-18(25)31-14/h8-12,15,17,19-22,26-28H,7H2,1-6H3/b10-8+,11-9+/t15-,17+,19+,20+,21-,22+,23-,24-/m0/s1 |
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| Synonyms | Not Available |
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| Chemical Formula | C24H34O9 |
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| Average Mass | 466.5270 Da |
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| Monoisotopic Mass | 466.22028 Da |
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| IUPAC Name | 6-[(1E,3E,5S,6R)-6-[(2S,3R,3aR,4R,5R,6aS)-5-ethyl-3,4-dihydroxy-3a,4-dimethyl-hexahydrofuro[2,3-b]furan-2-yl]-6-hydroxy-5-methoxyhexa-1,3-dien-1-yl]-4-methoxy-5-methyl-2H-pyran-2-one |
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| Traditional Name | 6-[(1E,3E,5S,6R)-6-[(2S,3R,3aR,4R,5R,6aS)-5-ethyl-3,4-dihydroxy-3a,4-dimethyl-tetrahydrofuro[2,3-b]furan-2-yl]-6-hydroxy-5-methoxyhexa-1,3-dien-1-yl]-4-methoxy-5-methylpyran-2-one |
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| CAS Registry Number | Not Available |
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| SMILES | [H][C@]12O[C@H](CC)[C@](C)(O)[C@@]1(C)[C@@H](O)[C@]([H])(O2)[C@H](O)[C@@H](OC)\C=C\C=C\C1=C(C)C(OC)=CC(=O)O1 |
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| InChI Identifier | InChI=1S/C24H34O9/c1-7-17-24(4,28)23(3)21(27)20(33-22(23)32-17)19(26)15(29-5)11-9-8-10-14-13(2)16(30-6)12-18(25)31-14/h8-12,15,17,19-22,26-28H,7H2,1-6H3/b10-8+,11-9+/t15-,17+,19+,20+,21-,22+,23-,24-/m0/s1 |
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| InChI Key | ZIFXYBYOGQUZMC-HKMAAYTPSA-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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| COSY NMR | [1H, 1H] NMR Spectrum (2D, 400 MHz, CDCl3, experimental) | ruanhl@hust.edu.cn | Huazhong University of Science and Technology | Han-Li Ruan | 2025-04-15 | View Spectrum | | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 400 MHz, CDCl3, experimental) | ruanhl@hust.edu.cn | Huazhong University of Science and Technology | Han-Li Ruan | 2025-04-15 | View Spectrum | | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 400 MHz, CDCl3, experimental) | ruanhl@hust.edu.cn | Huazhong University of Science and Technology | Han-Li Ruan | 2025-04-15 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, C2D6OS, experimental) | ruanhl@hust.edu.cn | Huazhong University of Science and Technology | Han-Li Ruan | 2025-04-15 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 101 MHz, CDCl3, experimental) | ruanhl@hust.edu.cn | Huazhong University of Science and Technology | Han-Li Ruan | 2025-04-15 | View Spectrum | | 1D_DEPT NMR | 13C NMR Spectrum (1D, 101 MHz, CDCl3, experimental) | ruanhl@hust.edu.cn | Huazhong University of Science and Technology | Han-Li Ruan | 2025-04-15 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, CDCl3, experimental) | ruanhl@hust.edu.cn | Huazhong University of Science and Technology | Han-Li Ruan | 2025-04-15 | View Spectrum | | NOESY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental) | ruanhl@hust.edu.cn | Huazhong University of Science and Technology | Han-Li Ruan | 2025-04-15 | 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 | | Species Name | Source | Reference |
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| Pochonia Pochonia bulbillosa KNI755 | | |
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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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