Record Information |
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Version | 1.0 |
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Created at | 2023-01-14 16:14:51 UTC |
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Updated at | 2024-04-19 09:41:24 UTC |
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NP-MRD ID | NP0331445 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Yuccalechin C |
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Description | Based on a literature review very few articles have been published on CHEMBL4640921. |
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Structure | O[C@H]1CC2=C(O[C@@H]1C1=CC=C(O)C=C1)C1=C(OC(=O)[C@]11[C@@H](OC3=CC(O)=CC(O)=C13)C1=CC=C(O)C=C1)C=C2O InChI=1S/C30H22O10/c31-15-5-1-13(2-6-15)26-21(36)11-18-19(34)12-23-25(27(18)40-26)30(29(37)39-23)24-20(35)9-17(33)10-22(24)38-28(30)14-3-7-16(32)8-4-14/h1-10,12,21,26,28,31-36H,11H2/t21-,26+,28-,30-/m0/s1 |
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Synonyms | Not Available |
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Chemical Formula | C30H22O10 |
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Average Mass | 542.4960 Da |
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Monoisotopic Mass | 542.12130 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 | O[C@H]1CC2=C(O[C@@H]1C1=CC=C(O)C=C1)C1=C(OC(=O)[C@]11[C@@H](OC3=CC(O)=CC(O)=C13)C1=CC=C(O)C=C1)C=C2O |
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InChI Identifier | InChI=1S/C30H22O10/c31-15-5-1-13(2-6-15)26-21(36)11-18-19(34)12-23-25(27(18)40-26)30(29(37)39-23)24-20(35)9-17(33)10-22(24)38-28(30)14-3-7-16(32)8-4-14/h1-10,12,21,26,28,31-36H,11H2/t21-,26+,28-,30-/m0/s1 |
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InChI Key | RNDNBGULZNCSNB-RXCSHGEXSA-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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ROESY NMR | [1H, 1H] NMR Spectrum (2D, 500 MHz, CD3OD, experimental) | lpecio@iung.pulawy.pl | Not Available | Not Available | 2023-01-14 | View Spectrum | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 500 MHz, CD3OD, experimental) | lpecio@iung.pulawy.pl | Not Available | Not Available | 2023-01-14 | View Spectrum | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 500 MHz, CD3OD, experimental) | lpecio@iung.pulawy.pl | Not Available | Not Available | 2023-01-14 | View Spectrum | COSY NMR | [1H, 1H] NMR Spectrum (2D, 500 MHz, CD3OD, experimental) | lpecio@iung.pulawy.pl | Not Available | Not Available | 2023-01-14 | View Spectrum | 1D NMR | [1H, ] NMR Spectrum (2D, 500 MHz, CD3OD, experimental) | lpecio@iung.pulawy.pl | Not Available | Not Available | 2023-01-14 | View Spectrum | 1D NMR | [13C, ] NMR Spectrum (2D, 126 MHz, CD3OD, experimental) | lpecio@iung.pulawy.pl | Not Available | Not Available | 2023-01-14 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 125.79 MHz, CD3OD, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 500.2 MHz, CD3OD, 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 | 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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