Record Information |
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Version | 1.0 |
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Created at | 2023-01-17 20:01:51 UTC |
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Updated at | 2024-05-13 01:14:22 UTC |
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NP-MRD ID | NP0331466 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | (+)-Cochlearin J |
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Description | Not Available |
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Structure | COC(=O)[C@@]12CC[C@H](C(C)=C)[C@]3(C1)OC1=C(C=C(O)C=C1C\C=C(\CCC=C(C)C)C(O)=O)C1=C(O)C=CC(O2)=C31 InChI=1S/C33H36O8/c1-18(2)7-6-8-20(30(36)37)9-10-21-15-22(34)16-23-27-25(35)11-12-26-28(27)33(41-29(21)23)17-32(40-26,31(38)39-5)14-13-24(33)19(3)4/h7,9,11-12,15-16,24,34-35H,3,6,8,10,13-14,17H2,1-2,4-5H3,(H,36,37)/b20-9-/t24-,32-,33+/m1/s1 |
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Synonyms | Not Available |
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Chemical Formula | C33H36O8 |
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Average Mass | 560.6430 Da |
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Monoisotopic Mass | 560.24102 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 | COC(=O)[C@@]12CC[C@H](C(C)=C)[C@]3(C1)OC1=C(C=C(O)C=C1C\C=C(\CCC=C(C)C)C(O)=O)C1=C(O)C=CC(O2)=C31 |
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InChI Identifier | InChI=1S/C33H36O8/c1-18(2)7-6-8-20(30(36)37)9-10-21-15-22(34)16-23-27-25(35)11-12-26-28(27)33(41-29(21)23)17-32(40-26,31(38)39-5)14-13-24(33)19(3)4/h7,9,11-12,15-16,24,34-35H,3,6,8,10,13-14,17H2,1-2,4-5H3,(H,36,37)/b20-9-/t24-,32-,33+/m1/s1 |
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InChI Key | KPVWCAFGFUFXMF-AMLIQZDXSA-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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1D_DEPT NMR | 13C NMR Spectrum (1D, 151 MHz, CD3OD, experimental) | mhchiu@mail.kib.ac.cn | Not Available | Not Available | 2024-05-11 | View Spectrum | 1D_DEPT NMR | 13C NMR Spectrum (1D, 151 MHz, CD3OD, experimental) | mhchiu@mail.kib.ac.cn | Not Available | Not Available | 2024-05-11 | View Spectrum | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental) | mhchiu@mail.kib.ac.cn | Not Available | Not Available | 2024-05-11 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 151 MHz, CD3OD, experimental) | mhchiu@mail.kib.ac.cn | Not Available | Not Available | 2024-05-11 | View Spectrum | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental) | mhchiu@mail.kib.ac.cn | Not Available | Not Available | 2024-05-11 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, CD3OD, experimental) | mhchiu@mail.kib.ac.cn | Not Available | Not Available | 2024-05-11 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, CD3OD, experimental) | mhchiu@mail.kib.ac.cn | Not Available | Not Available | 2024-05-11 | View Spectrum | COSY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, CD3OD, experimental) | mhchiu@mail.kib.ac.cn | Not Available | Not Available | 2024-05-11 | View Spectrum | ROESY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, CD3OD, experimental) | mhchiu@mail.kib.ac.cn | Not Available | Not Available | 2024-05-11 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, CD3OD, experimental) | mhchiu@mail.kib.ac.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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