Record Information |
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Version | 1.0 |
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Created at | 2024-02-22 00:14:41 UTC |
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Updated at | 2024-05-04 00:30:01 UTC |
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NP-MRD ID | NP0332537 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Prisconnatanone V |
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Description | Not Available |
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Structure | COC1=C(OC)C(OC)=C2C(O)=C3C[C@H](C)[C@@H](O)[C@H](O)C3=C(OC)C2=C1 InChI=1S/C19H24O7/c1-8-6-9-12(16(22)14(8)20)17(24-3)10-7-11(23-2)18(25-4)19(26-5)13(10)15(9)21/h7-8,14,16,20-22H,6H2,1-5H3/t8-,14+,16+/m0/s1 |
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Synonyms | Not Available |
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Chemical Formula | C19H24O7 |
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Average Mass | 364.3940 Da |
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Monoisotopic Mass | 364.15220 Da |
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IUPAC Name | (1R,2R,3S)-5,6,7,9-tetramethoxy-3-methyl-1,2,3,4-tetrahydroanthracene-1,2,10-triol |
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Traditional Name | (1R,2R,3S)-5,6,7,9-tetramethoxy-3-methyl-1,2,3,4-tetrahydroanthracene-1,2,10-triol |
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CAS Registry Number | Not Available |
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SMILES | COC1=C(OC)C(OC)=C2C(O)=C3C[C@H](C)[C@@H](O)[C@H](O)C3=C(OC)C2=C1 |
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InChI Identifier | InChI=1S/C19H24O7/c1-8-6-9-12(16(22)14(8)20)17(24-3)10-7-11(23-2)18(25-4)19(26-5)13(10)15(9)21/h7-8,14,16,20-22H,6H2,1-5H3/t8-,14+,16+/m0/s1 |
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InChI Key | ONLILZJKRSQXPM-OJYXWISLSA-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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HMBC NMR | [1H, 13C] NMR Spectrum (2D, 400 MHz, CDCl3, experimental) | chenxinyi@imm.ac.cn | Institute of Materia Medica, Chinese Academy of Medical Sciences and Peking Union Medical College | Xinyi Chen | 2024-05-02 | View Spectrum | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 400 MHz, CDCl3, experimental) | chenxinyi@imm.ac.cn | Institute of Materia Medica, Chinese Academy of Medical Sciences and Peking Union Medical College | Xinyi Chen | 2024-05-02 | View Spectrum | COSY NMR | [1H, 1H] NMR Spectrum (2D, 400 MHz, CDCl3, experimental) | chenxinyi@imm.ac.cn | Institute of Materia Medica, Chinese Academy of Medical Sciences and Peking Union Medical College | Xinyi Chen | 2024-05-02 | View Spectrum | COSY NMR | [1H, 1H] NMR Spectrum (2D, 800 MHz, CDCl3, experimental) | chenxinyi@imm.ac.cn | Institute of Materia Medica, Chinese Academy of Medical Sciences and Peking Union Medical College | Xinyi Chen | 2024-05-02 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 800 MHz, CDCl3, experimental) | chenxinyi@imm.ac.cn | Institute of Materia Medica, Chinese Academy of Medical Sciences and Peking Union Medical College | Xinyi Chen | 2024-05-02 | View Spectrum | NOESY NMR | [1H, 1H] NMR Spectrum (2D, 800 MHz, CDCl3, experimental) | chenxinyi@imm.ac.cn | Institute of Materia Medica, Chinese Academy of Medical Sciences and Peking Union Medical College | Xinyi Chen | 2024-02-22 | View Spectrum | COSY NMR | [1H, 1H] NMR Spectrum (2D, 800 MHz, CDCl3, experimental) | chenxinyi@imm.ac.cn | Institute of Materia Medica, Chinese Academy of Medical Sciences and Peking Union Medical College | Xinyi Chen | 2024-02-22 | View Spectrum | 1D NMR | [1H, ] NMR Spectrum (2D, 800 MHz, CDCl3, experimental) | chenxinyi@imm.ac.cn | Institute of Materia Medica, Chinese Academy of Medical Sciences and Peking Union Medical College | Xinyi Chen | 2024-02-22 | View Spectrum | 1D NMR | [13C, ] NMR Spectrum (2D, 101 MHz, CDCl3, experimental) | chenxinyi@imm.ac.cn | Institute of Materia Medica, Chinese Academy of Medical Sciences and Peking Union Medical College | Xinyi Chen | 2024-02-22 | View Spectrum | 1D NMR | [1H, ] NMR Spectrum (2D, 400 MHz, CDCl3, experimental) | chenxinyi@imm.ac.cn | Institute of Materia Medica, Chinese Academy of Medical Sciences and Peking Union Medical College | Xinyi Chen | 2024-02-22 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 400.132470967 MHz, CDCl3, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 100.623834034 MHz, CDCl3, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 800.23494142 MHz, CDCl3, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 800.23494142 MHz, CDCl3, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | 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 | |
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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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