Record Information |
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Version | 1.0 |
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Created at | 2023-11-29 04:22:53 UTC |
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Updated at | 2024-04-19 10:01:22 UTC |
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NP-MRD ID | NP0332154 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Homomedicarpinol A (3) |
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Description | Not Available |
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Structure | [H][C@]12COC3=C(C=CC(O)=C3)[C@]1([H])OC1=CC(OC)=CC=C1C2 InChI=1S/C17H16O4/c1-19-13-4-2-10-6-11-9-20-16-7-12(18)3-5-14(16)17(11)21-15(10)8-13/h2-5,7-8,11,17-18H,6,9H2,1H3/t11-,17+/m0/s1 |
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Synonyms | Not Available |
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Chemical Formula | C17H16O4 |
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Average Mass | 284.3110 Da |
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Monoisotopic Mass | 284.10486 Da |
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IUPAC Name | (5aR,11aS)-3-methoxy-5a,11,11a,12-tetrahydro-5,10-dioxatetraphen-8-ol |
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Traditional Name | (5aR,11aS)-3-methoxy-5a,11,11a,12-tetrahydro-5,10-dioxatetraphen-8-ol |
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CAS Registry Number | Not Available |
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SMILES | [H][C@]12COC3=C(C=CC(O)=C3)[C@]1([H])OC1=CC(OC)=CC=C1C2 |
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InChI Identifier | InChI=1S/C17H16O4/c1-19-13-4-2-10-6-11-9-20-16-7-12(18)3-5-14(16)17(11)21-15(10)8-13/h2-5,7-8,11,17-18H,6,9H2,1H3/t11-,17+/m0/s1 |
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InChI Key | DOAHERMWRRICBQ-APPDUMDISA-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, 600 MHz, CDCl3, experimental) | wangxn@sdu.edu.cn | Shandong University | Xiao-Ning Wang | 2023-11-29 | View Spectrum | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, CDCl3, experimental) | wangxn@sdu.edu.cn | Shandong University | Xiao-Ning Wang | 2023-11-29 | View Spectrum | NOESY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, CDCl3, experimental) | wangxn@sdu.edu.cn | Shandong University | Xiao-Ning Wang | 2023-11-29 | View Spectrum | COSY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, CDCl3, experimental) | wangxn@sdu.edu.cn | Shandong University | Xiao-Ning Wang | 2023-11-29 | View Spectrum | 1D NMR | [1H, ] NMR Spectrum (2D, 600 MHz, CDCl3, experimental) | wangxn@sdu.edu.cn | Shandong University | Xiao-Ning Wang | 2023-11-29 | View Spectrum | 1D NMR | [13C, ] NMR Spectrum (2D, 151 MHz, CDCl3, experimental) | wangxn@sdu.edu.cn | Shandong University | Xiao-Ning Wang | 2023-11-29 | View Spectrum | 1D NMR | [1H, ] NMR Spectrum (2D, 600 MHz, CDCl3, experimental) | wangxn@sdu.edu.cn | Shandong University | Xiao-Ning Wang | 2023-11-29 | 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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