Record Information |
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Version | 1.0 |
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Created at | 2023-04-20 16:18:44 UTC |
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Updated at | 2024-05-13 01:11:16 UTC |
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NP-MRD ID | NP0331599 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | panepophenanthrin C |
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Description | Not Available |
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Structure | [H][C@@]12C=C3C(=O)[C@H]4O[C@H]4[C@H](O)[C@@]3([H])[C@]3([H])[C@@H](O)[C@@H]4O[C@@H]4[C@](O)(OC1(C)C)[C@]23C=CC(C)(C)OCCCC InChI=1S/C26H36O8/c1-6-7-10-31-23(2,3)8-9-25-13-11-12-14(17(28)20-19(32-20)16(12)27)15(25)18(29)21-22(33-21)26(25,30)34-24(13,4)5/h8-9,11,13-15,17-22,28-30H,6-7,10H2,1-5H3/b9-8+/t13-,14-,15-,17-,18-,19-,20+,21+,22+,25-,26+/m1/s1 |
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Synonyms | Not Available |
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Chemical Formula | C26H36O8 |
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Average Mass | 476.5660 Da |
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Monoisotopic Mass | 476.24102 Da |
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IUPAC Name | Not Available |
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Traditional Name | Not Available |
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CAS Registry Number | Not Available |
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SMILES | [H][C@@]12C=C3C(=O)[C@H]4O[C@H]4[C@H](O)[C@@]3([H])[C@]3([H])[C@@H](O)[C@@H]4O[C@@H]4[C@](O)(OC1(C)C)[C@]23C=CC(C)(C)OCCCC |
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InChI Identifier | InChI=1S/C26H36O8/c1-6-7-10-31-23(2,3)8-9-25-13-11-12-14(17(28)20-19(32-20)16(12)27)15(25)18(29)21-22(33-21)26(25,30)34-24(13,4)5/h8-9,11,13-15,17-22,28-30H,6-7,10H2,1-5H3/b9-8+/t13-,14-,15-,17-,18-,19-,20+,21+,22+,25-,26+/m1/s1 |
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InChI Key | YKVBGTVNPHOHKD-KMKHQBMHSA-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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NOESY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, CDCl3, experimental) | yuezhouw1120@163.com | Not Available | Not Available | 2024-05-11 | View Spectrum | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, CDCl3, experimental) | yuezhouw1120@163.com | Not Available | Not Available | 2024-05-11 | View Spectrum | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, CDCl3, experimental) | yuezhouw1120@163.com | Not Available | Not Available | 2024-05-11 | View Spectrum | COSY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, CDCl3, experimental) | yuezhouw1120@163.com | Not Available | Not Available | 2024-05-11 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 151 MHz, CDCl3, experimental) | yuezhouw1120@163.com | Not Available | Not Available | 2024-05-11 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 151 MHz, CDCl3, experimental) | yuezhouw1120@163.com | Not Available | Not Available | 2024-05-11 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 151 MHz, CDCl3, experimental) | yuezhouw1120@163.com | Not Available | Not Available | 2024-05-11 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, CDCl3, experimental) | yuezhouw1120@163.com | Not Available | Not Available | 2024-05-11 | View Spectrum | NOESY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, CDCl3, experimental) | yuezhouw1120@163.com | Not Available | Not Available | 2023-04-20 | View Spectrum | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, CDCl3, experimental) | yuezhouw1120@163.com | Not Available | Not Available | 2023-04-20 | View Spectrum | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, CDCl3, experimental) | yuezhouw1120@163.com | Not Available | Not Available | 2023-04-20 | View Spectrum | COSY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, CDCl3, experimental) | yuezhouw1120@163.com | Not Available | Not Available | 2023-04-20 | View Spectrum | 1D NMR | [13C, ] NMR Spectrum (2D, 151 MHz, CDCl3, experimental) | yuezhouw1120@163.com | Not Available | Not Available | 2023-04-20 | View Spectrum | 1D NMR | [13C, ] NMR Spectrum (2D, 151 MHz, CDCl3, experimental) | yuezhouw1120@163.com | Not Available | Not Available | 2023-04-20 | View Spectrum | 1D NMR | [13C, ] NMR Spectrum (2D, 151 MHz, CDCl3, experimental) | yuezhouw1120@163.com | Not Available | Not Available | 2023-04-20 | View Spectrum | 1D NMR | [1H, ] NMR Spectrum (2D, 600 MHz, CDCl3, experimental) | yuezhouw1120@163.com | Not Available | Not Available | 2023-04-20 | 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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rudis | | |
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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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