Record Information |
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Version | 1.0 |
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Created at | 2023-11-14 20:00:35 UTC |
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Updated at | 2024-04-19 10:00:30 UTC |
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NP-MRD ID | NP0332112 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Phomalone C |
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Description | Not Available |
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Structure | CCCC1=CC(O)=C(CC)C2=C1C(=O)C(CC)=C(C)O2 InChI=1S/C17H22O3/c1-5-8-11-9-14(18)13(7-3)17-15(11)16(19)12(6-2)10(4)20-17/h9,18H,5-8H2,1-4H3 |
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Synonyms | Not Available |
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Chemical Formula | C17H22O3 |
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Average Mass | 274.3600 Da |
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Monoisotopic Mass | 274.15689 Da |
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IUPAC Name | 3,8-diethyl-7-hydroxy-2-methyl-5-propyl-4H-chromen-4-one |
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Traditional Name | 3,8-diethyl-7-hydroxy-2-methyl-5-propylchromen-4-one |
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CAS Registry Number | Not Available |
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SMILES | CCCC1=CC(O)=C(CC)C2=C1C(=O)C(CC)=C(C)O2 |
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InChI Identifier | InChI=1S/C17H22O3/c1-5-8-11-9-14(18)13(7-3)17-15(11)16(19)12(6-2)10(4)20-17/h9,18H,5-8H2,1-4H3 |
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InChI Key | KCUHYBCTPAHXPL-UHFFFAOYSA-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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HSQC NMR | [1H, 13C] NMR Spectrum (2D, 700 MHz, CD3OD, experimental) | huanghuibin2021@163.com | School of Pharmacy, Guangdong Pharmaceutical University, 280 Huandong Road, University City,Panyu District Guangzhou 510006, China; | Hui-Bin Huang | 2023-11-14 | View Spectrum | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 700 MHz, CD3OD, experimental) | huanghuibin2021@163.com | School of Pharmacy, Guangdong Pharmaceutical University, 280 Huandong Road, University City,Panyu District Guangzhou 510006, China; | Hui-Bin Huang | 2023-11-14 | View Spectrum | COSY NMR | [1H, 1H] NMR Spectrum (2D, 700 MHz, CD3OD, experimental) | huanghuibin2021@163.com | School of Pharmacy, Guangdong Pharmaceutical University, 280 Huandong Road, University City,Panyu District Guangzhou 510006, China; | Hui-Bin Huang | 2023-11-14 | View Spectrum | 1D NMR | [1H, ] NMR Spectrum (2D, 400 MHz, CD3OD, experimental) | huanghuibin2021@163.com | School of Pharmacy, Guangdong Pharmaceutical University, 280 Huandong Road, University City,Panyu District Guangzhou 510006, China; | Hui-Bin Huang | 2023-11-14 | View Spectrum | 1D NMR | [13C, ] NMR Spectrum (2D, 176 MHz, CD3OD, experimental) | huanghuibin2021@163.com | School of Pharmacy, Guangdong Pharmaceutical University, 280 Huandong Road, University City,Panyu District Guangzhou 510006, China; | Hui-Bin Huang | 2023-11-14 | 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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