Record Information |
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Version | 2.0 |
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Created at | 2024-12-23 05:54:30 UTC |
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Updated at | 2024-12-25 00:04:01 UTC |
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NP-MRD ID | NP0350561 |
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Natural Product DOI | https://doi.org/10.57994/3537 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | xiapyrrole E |
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Description | Based on a literature review very few articles have been published on xiapyrrole E. |
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Structure | CC1=CC(C)=C(C=O)N1CCC1=CC=C(O)C=C1 InChI=1S/C15H17NO2/c1-11-9-12(2)16(15(11)10-17)8-7-13-3-5-14(18)6-4-13/h3-6,9-10,18H,7-8H2,1-2H3 |
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Synonyms | Not Available |
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Chemical Formula | C15H17NO2 |
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Average Mass | 243.3060 Da |
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Monoisotopic Mass | 243.12593 Da |
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IUPAC Name | 1-[2-(4-hydroxyphenyl)ethyl]-3,5-dimethyl-1H-pyrrole-2-carbaldehyde |
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Traditional Name | 1-[2-(4-hydroxyphenyl)ethyl]-3,5-dimethylpyrrole-2-carbaldehyde |
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CAS Registry Number | Not Available |
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SMILES | CC1=CC(C)=C(C=O)N1CCC1=CC=C(O)C=C1 |
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InChI Identifier | InChI=1S/C15H17NO2/c1-11-9-12(2)16(15(11)10-17)8-7-13-3-5-14(18)6-4-13/h3-6,9-10,18H,7-8H2,1-2H3 |
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InChI Key | BXSXEVTVGMKJAU-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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1D NMR | 13C NMR Spectrum (1D, 151 MHz, CD3OD, experimental) | minah@kiost.ac.kr | Korea Institute of Ocean Science & Technology | LEE Min Ah | 2024-12-23 | View Spectrum | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental) | minah@kiost.ac.kr | Korea Institute of Ocean Science & Technology | LEE Min Ah | 2024-12-23 | View Spectrum | 1D_DEPT NMR | 13C NMR Spectrum (1D, 151 MHz, CD3OD, experimental) | minah@kiost.ac.kr | Korea Institute of Ocean Science & Technology | LEE Min Ah | 2024-12-23 | View Spectrum | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental) | minah@kiost.ac.kr | Korea Institute of Ocean Science & Technology | LEE Min Ah | 2024-12-23 | View Spectrum | COSY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, CD3OD, experimental) | minah@kiost.ac.kr | Korea Institute of Ocean Science & Technology | LEE Min Ah | 2024-12-23 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, CD3OD, experimental) | minah@kiost.ac.kr | Korea Institute of Ocean Science & Technology | LEE Min Ah | 2024-12-23 | View Spectrum |
| Predicted Spectra |
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| Spectrum Type | Description | Depositor ID | Depositor Organization | Depositor | Deposition Date | View |
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| Chemical Shift Submissions |
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| Not Available | Species |
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Species of Origin | Species Name | Source | Reference |
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xiamenensis | | |
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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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