Record Information |
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Version | 1.0 |
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Created at | 2022-12-25 08:13:49 UTC |
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Updated at | 2024-04-19 09:40:45 UTC |
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NP-MRD ID | NP0331429 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Rubellapene B |
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Description | Not Available |
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Structure | [H][C@@]12CCC=C(C(O)=O)[C@]1(C)CC[C@@H](C)[C@@]2(C)CCC(C)=O InChI=1S/C18H28O3/c1-12-8-10-18(4)14(16(20)21)6-5-7-15(18)17(12,3)11-9-13(2)19/h6,12,15H,5,7-11H2,1-4H3,(H,20,21)/t12-,15+,17-,18+/m1/s1 |
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Synonyms | Not Available |
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Chemical Formula | C18H28O3 |
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Average Mass | 292.4190 Da |
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Monoisotopic Mass | 292.20384 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@@]12CCC=C(C(O)=O)[C@]1(C)CC[C@@H](C)[C@@]2(C)CCC(C)=O |
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InChI Identifier | InChI=1S/C18H28O3/c1-12-8-10-18(4)14(16(20)21)6-5-7-15(18)17(12,3)11-9-13(2)19/h6,12,15H,5,7-11H2,1-4H3,(H,20,21)/t12-,15+,17-,18+/m1/s1 |
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InChI Key | QWBXOCNPBJFCSB-XGWTYTTDSA-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, 400 MHz, CDCl3, experimental) | wuaizhi@gzucm.edu.cn | Not Available | Not Available | 2022-12-25 | View Spectrum | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 400 MHz, CDCl3, experimental) | wuaizhi@gzucm.edu.cn | Not Available | Not Available | 2022-12-25 | View Spectrum | COSY NMR | [1H, 1H] NMR Spectrum (2D, 400 MHz, CDCl3, experimental) | wuaizhi@gzucm.edu.cn | Not Available | Not Available | 2022-12-25 | View Spectrum | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 400 MHz, CDCl3, experimental) | wuaizhi@gzucm.edu.cn | Not Available | Not Available | 2022-12-25 | View Spectrum | FAILED_TO_DETECT NMR | [13C, 13C] NMR Spectrum (2D, 101 MHz, CDCl3, experimental) | wuaizhi@gzucm.edu.cn | Not Available | Not Available | 2022-12-25 | View Spectrum | 1D NMR | [13C, ] NMR Spectrum (2D, 101 MHz, CDCl3, experimental) | wuaizhi@gzucm.edu.cn | Not Available | Not Available | 2022-12-25 | View Spectrum | 1D NMR | [1H, ] NMR Spectrum (2D, 400 MHz, CDCl3, experimental) | wuaizhi@gzucm.edu.cn | Not Available | Not Available | 2022-12-25 | 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 | Not Available |
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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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