| Record Information |
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| Version | 2.0 |
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| Created at | 2026-02-06 06:45:21 UTC |
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| Updated at | 2026-02-20 03:35:04 UTC |
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| NP-MRD ID | NP0352290 |
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| Natural Product DOI | https://doi.org/10.57994/5512 |
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| Secondary Accession Numbers | None |
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| Natural Product Identification |
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| Common Name | pemacromycin A |
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| Description | Not Available |
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| Structure | CCCC[C@@H]1[C@@H](O)C[C@@H](O)C[C@@H](O)C[C@@H](O)C[C@@H](O)C[C@H]2O[C@](C)(\C=C\C=C\C=C\C=C\[C@@H](O)[C@H](O)[C@@H](C)OC1=O)[C@@H](O)[C@@H]2O InChI=1S/C33H54O12/c1-4-5-12-25-27(39)18-23(36)16-21(34)15-22(35)17-24(37)19-28-30(41)31(42)33(3,45-28)14-11-9-7-6-8-10-13-26(38)29(40)20(2)44-32(25)43/h6-11,13-14,20-31,34-42H,4-5,12,15-19H2,1-3H3/b8-6+,9-7+,13-10+,14-11+/t20-,21+,22-,23+,24-,25?,26-,27+,28-,29-,30-,31+,33-/m1/s1 |
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| Synonyms | Not Available |
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| Chemical Formula | C33H54O12 |
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| Average Mass | 642.7830 Da |
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| Monoisotopic Mass | 642.36153 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 | CCCC[C@@H]1[C@@H](O)C[C@@H](O)C[C@@H](O)C[C@@H](O)C[C@@H](O)C[C@H]2O[C@](C)(\C=C\C=C\C=C\C=C\[C@@H](O)[C@H](O)[C@@H](C)OC1=O)[C@@H](O)[C@@H]2O |
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| InChI Identifier | InChI=1S/C33H54O12/c1-4-5-12-25-27(39)18-23(36)16-21(34)15-22(35)17-24(37)19-28-30(41)31(42)33(3,45-28)14-11-9-7-6-8-10-13-26(38)29(40)20(2)44-32(25)43/h6-11,13-14,20-31,34-42H,4-5,12,15-19H2,1-3H3/b8-6+,9-7+,13-10+,14-11+/t20-,21+,22-,23+,24-,25?,26-,27+,28-,29-,30-,31+,33-/m1/s1 |
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| InChI Key | FXPPHBZEUFWADF-DHQPULOWSA-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, C5D5N, experimental) | xuweifeng_u@163.com | Guangxi Normal University | Wei-Feng Xu | 2026-02-06 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, C2D6OS, experimental) | xuweifeng_u@163.com | Guangxi Normal University | Wei-Feng Xu | 2026-02-06 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, C2D6OS, experimental) | xuweifeng_u@163.com | Guangxi Normal University | Wei-Feng Xu | 2026-02-06 | View Spectrum | | NOESY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, C5D5N, experimental) | xuweifeng_u@163.com | Guangxi Normal University | Wei-Feng Xu | 2026-02-06 | View Spectrum | | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, C5D5N, experimental) | xuweifeng_u@163.com | Guangxi Normal University | Wei-Feng Xu | 2026-02-06 | View Spectrum | | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, C5D5N, experimental) | xuweifeng_u@163.com | Guangxi Normal University | Wei-Feng Xu | 2026-02-06 | View Spectrum | | COSY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, C5D5N, experimental) | xuweifeng_u@163.com | Guangxi Normal University | Wei-Feng Xu | 2026-02-06 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, C5D5N, experimental) | xuweifeng_u@163.com | Guangxi Normal University | Wei-Feng Xu | 2026-02-06 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 151 MHz, C5D5N, experimental) | xuweifeng_u@163.com | Guangxi Normal University | Wei-Feng Xu | 2026-02-06 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, C5D5N, experimental) | xuweifeng_u@163.com | Guangxi Normal University | Wei-Feng Xu | 2026-02-06 | View Spectrum | | COSY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, C5D5N, experimental) | xuweifeng_u@163.com | Guangxi Normal University | Wei-Feng Xu | 2026-02-06 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, C5D5N, experimental) | xuweifeng_u@163.com | Guangxi Normal University | Wei-Feng Xu | 2026-02-06 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, C5D5N, experimental) | xuweifeng_u@163.com | Guangxi Normal University | Wei-Feng Xu | 2026-02-06 | View Spectrum | | NOESY NMR | [1H, 1H] NMR Spectrum (2D, 400 MHz, C5D5N, experimental) | xuweifeng_u@163.com | Guangxi Normal University | Wei-Feng Xu | 2026-02-06 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, C5D5N, experimental) | xuweifeng_u@163.com | Guangxi Normal University | Wei-Feng Xu | 2026-02-06 | View Spectrum | | NOESY NMR | [1H, 1H] NMR Spectrum (2D, 400 MHz, C5D5N, experimental) | xuweifeng_u@163.com | Guangxi Normal University | Wei-Feng Xu | 2026-02-06 | View Spectrum | | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 400 MHz, C5D5N, experimental) | xuweifeng_u@163.com | Guangxi Normal University | Wei-Feng Xu | 2026-02-06 | View Spectrum | | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 400 MHz, C5D5N, experimental) | xuweifeng_u@163.com | Guangxi Normal University | Wei-Feng Xu | 2026-02-06 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, C5D5N, experimental) | xuweifeng_u@163.com | Guangxi Normal University | Wei-Feng Xu | 2026-02-06 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 101 MHz, C5D5N, experimental) | xuweifeng_u@163.com | Guangxi Normal University | Wei-Feng Xu | 2026-02-06 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, C5D5N, experimental) | xuweifeng_u@163.com | Guangxi Normal University | Wei-Feng Xu | 2026-02-06 | View Spectrum | | NOESY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental) | xuweifeng_u@163.com | Guangxi Normal University | Wei-Feng Xu | 2026-02-06 | View Spectrum | | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental) | xuweifeng_u@163.com | Guangxi Normal University | Wei-Feng Xu | 2026-02-06 | View Spectrum | | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental) | xuweifeng_u@163.com | Guangxi Normal University | Wei-Feng Xu | 2026-02-06 | View Spectrum | | COSY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental) | xuweifeng_u@163.com | Guangxi Normal University | Wei-Feng Xu | 2026-02-06 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 151 MHz, C2D6OS, experimental) | xuweifeng_u@163.com | Guangxi Normal University | Wei-Feng Xu | 2026-02-06 | 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 | |
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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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