Record Information |
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Version | 1.0 |
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Created at | 2023-11-29 16:14:58 UTC |
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Updated at | 2024-05-03 17:55:24 UTC |
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NP-MRD ID | NP0332168 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Hyperhomanoon D |
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Description | Not Available |
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Structure | [H][C@]12C[C@H]3C[C@@]4(CC=C(C)C)C(=O)[C@]1([C@@H](CC(C)=O)OC2(C)C)C(=O)[C@](C(=O)C1=CC=CC=C1)(C4=O)C3(C)C InChI=1S/C32H38O6/c1-18(2)13-14-30-17-21-16-22-29(6,7)38-23(15-19(3)33)31(22,25(30)35)27(37)32(26(30)36,28(21,4)5)24(34)20-11-9-8-10-12-20/h8-13,21-23H,14-17H2,1-7H3/t21-,22+,23+,30-,31-,32-/m0/s1 |
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Synonyms | Not Available |
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Chemical Formula | C32H38O6 |
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Average Mass | 518.6500 Da |
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Monoisotopic Mass | 518.26684 Da |
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IUPAC Name | (1S,2R,5S,7S,9R,11S)-9-benzoyl-4,4,8,8-tetramethyl-11-(3-methylbut-2-en-1-yl)-2-(2-oxopropyl)-3-oxatetracyclo[7.3.1.1^{7,11}.0^{1,5}]tetradecane-10,12,13-trione |
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Traditional Name | (1S,2R,5S,7S,9R,11S)-9-benzoyl-4,4,8,8-tetramethyl-11-(3-methylbut-2-en-1-yl)-2-(2-oxopropyl)-3-oxatetracyclo[7.3.1.1^{7,11}.0^{1,5}]tetradecane-10,12,13-trione |
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CAS Registry Number | Not Available |
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SMILES | [H][C@]12C[C@H]3C[C@@]4(CC=C(C)C)C(=O)[C@]1([C@@H](CC(C)=O)OC2(C)C)C(=O)[C@](C(=O)C1=CC=CC=C1)(C4=O)C3(C)C |
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InChI Identifier | InChI=1S/C32H38O6/c1-18(2)13-14-30-17-21-16-22-29(6,7)38-23(15-19(3)33)31(22,25(30)35)27(37)32(26(30)36,28(21,4)5)24(34)20-11-9-8-10-12-20/h8-13,21-23H,14-17H2,1-7H3/t21-,22+,23+,30-,31-,32-/m0/s1 |
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InChI Key | BMBCROHZVIMQTB-QMOICEKASA-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, 101 MHz, CDCl3, experimental) | 3354202026@qq.com | huazhong university of science and technology | TaoBo | 2024-05-03 | View Spectrum | ROESY NMR | [1H, 1H] NMR Spectrum (2D, 400 MHz, CDCl3, experimental) | 3354202026@qq.com | huazhong university of science and technology | TaoBo | 2023-11-29 | View Spectrum | COSY NMR | [1H, 1H] NMR Spectrum (2D, 400 MHz, CDCl3, experimental) | 3354202026@qq.com | huazhong university of science and technology | TaoBo | 2023-11-29 | View Spectrum | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 400 MHz, CDCl3, experimental) | 3354202026@qq.com | huazhong university of science and technology | TaoBo | 2023-11-29 | View Spectrum | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 400 MHz, CDCl3, experimental) | 3354202026@qq.com | huazhong university of science and technology | TaoBo | 2023-11-29 | View Spectrum | 1D NMR | [13C, ] NMR Spectrum (2D, 101 MHz, CDCl3, experimental) | 3354202026@qq.com | huazhong university of science and technology | TaoBo | 2023-11-29 | View Spectrum | 1D NMR | [1H, ] NMR Spectrum (2D, 400 MHz, CDCl3, experimental) | 3354202026@qq.com | huazhong university of science and technology | TaoBo | 2023-11-29 | 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, 100.622829329 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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| Spectrum Type | Description | Depositor ID | Depositor Organization | Depositor | Deposition Date | View |
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1D NMR | 1H NMR Spectrum (1D, 400.132470967, CDCl3, simulated) | 3354202026 | huazhong university of science and technology | TaoBo | 2024-05-03 | View Spectrum |
| 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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