Record Information |
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Version | 1.0 |
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Created at | 2023-03-21 04:00:13 UTC |
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Updated at | 2024-05-13 01:11:43 UTC |
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NP-MRD ID | NP0331567 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Incarvine G |
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Description | Not Available |
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Structure | [H][C@@]12C[C@@H](OC(=O)C(\C)=C\CCC(C)CCO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](C)[C@]1([H])CN(C)C[C@@H]2C InChI=1S/C27H47NO8/c1-15(9-10-34-27-25(32)24(31)23(30)22(14-29)36-27)7-6-8-16(2)26(33)35-21-11-19-17(3)12-28(5)13-20(19)18(21)4/h8,15,17-25,27,29-32H,6-7,9-14H2,1-5H3/b16-8+/t15?,17-,18-,19-,20-,21+,22+,23+,24-,25+,27+/m0/s1 |
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Synonyms | Not Available |
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Chemical Formula | C27H47NO8 |
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Average Mass | 513.6720 Da |
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Monoisotopic Mass | 513.33017 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[C@@H](OC(=O)C(\C)=C\CCC(C)CCO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](C)[C@]1([H])CN(C)C[C@@H]2C |
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InChI Identifier | InChI=1S/C27H47NO8/c1-15(9-10-34-27-25(32)24(31)23(30)22(14-29)36-27)7-6-8-16(2)26(33)35-21-11-19-17(3)12-28(5)13-20(19)18(21)4/h8,15,17-25,27,29-32H,6-7,9-14H2,1-5H3/b16-8+/t15?,17-,18-,19-,20-,21+,22+,23+,24-,25+,27+/m0/s1 |
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InChI Key | UMKANNGXRZZZOC-YLWHZXBESA-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, CD3OD, experimental) | shoude.zhang@qhu.edu.cn | Not Available | Not Available | 2024-05-11 | View Spectrum | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental) | shoude.zhang@qhu.edu.cn | Not Available | Not Available | 2024-05-11 | View Spectrum | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental) | shoude.zhang@qhu.edu.cn | Not Available | Not Available | 2024-05-11 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, CD3OD, experimental) | shoude.zhang@qhu.edu.cn | Not Available | Not Available | 2024-05-11 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, CD3OD, experimental) | shoude.zhang@qhu.edu.cn | Not Available | Not Available | 2024-05-11 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, CD3OD, experimental) | shoude.zhang@qhu.edu.cn | Not Available | Not Available | 2024-05-11 | View Spectrum | COSY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, CD3OD, experimental) | shoude.zhang@qhu.edu.cn | Not Available | Not Available | 2024-05-11 | View Spectrum | 1D_DEPT NMR | 13C NMR Spectrum (1D, 151 MHz, CD3OD, experimental) | shoude.zhang@qhu.edu.cn | Not Available | Not Available | 2024-05-11 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, CD3OD, experimental) | shoude.zhang@qhu.edu.cn | Not Available | Not Available | 2024-05-11 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 151 MHz, CD3OD, experimental) | shoude.zhang@qhu.edu.cn | Not Available | Not Available | 2024-05-11 | 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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