Record Information |
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Version | 1.0 |
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Created at | 2023-10-24 04:00:29 UTC |
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Updated at | 2024-04-19 09:58:07 UTC |
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NP-MRD ID | NP0332015 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Alstoboonine |
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Description | Not Available |
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Structure | COC(=O)[C@@]12CO[C@]3(C=C)[C@@H]([NH2+]CC[C@]13O)C1=C2NC2=C1C=CC=C2 InChI=1S/C19H20N2O4/c1-3-18-15-13-11-6-4-5-7-12(11)21-14(13)17(10-25-18,16(22)24-2)19(18,23)8-9-20-15/h3-7,15,20-21,23H,1,8-10H2,2H3/p+1/t15-,17-,18+,19-/m0/s1 |
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Synonyms | Not Available |
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Chemical Formula | C19H21N2O4 |
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Average Mass | 341.3860 Da |
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Monoisotopic Mass | 341.14958 Da |
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IUPAC Name | (2S,5R,6S,10S)-5-ethenyl-6-hydroxy-2-(methoxycarbonyl)-4-oxa-9,18-diazapentacyclo[9.7.0.0^{2,6}.0^{5,10}.0^{12,17}]octadeca-1(11),12(17),13,15-tetraen-9-ium |
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Traditional Name | (2S,5R,6S,10S)-5-ethenyl-6-hydroxy-2-(methoxycarbonyl)-4-oxa-9,18-diazapentacyclo[9.7.0.0^{2,6}.0^{5,10}.0^{12,17}]octadeca-1(11),12(17),13,15-tetraen-9-ium |
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CAS Registry Number | Not Available |
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SMILES | COC(=O)[C@@]12CO[C@]3(C=C)[C@@H]([NH2+]CC[C@]13O)C1=C2NC2=C1C=CC=C2 |
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InChI Identifier | InChI=1S/C19H20N2O4/c1-3-18-15-13-11-6-4-5-7-12(11)21-14(13)17(10-25-18,16(22)24-2)19(18,23)8-9-20-15/h3-7,15,20-21,23H,1,8-10H2,2H3/p+1/t15-,17-,18+,19-/m0/s1 |
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InChI Key | JOZAOIYYIKINSB-KANFNMMFSA-O |
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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, 600 MHz, CD3OD, experimental) | verena.spiegler@uni-muenster.de | Not Available | Not Available | 2023-10-24 | View Spectrum | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental) | verena.spiegler@uni-muenster.de | Not Available | Not Available | 2023-10-24 | View Spectrum | 1D NMR | [1H, ] NMR Spectrum (2D, 600 MHz, CD3OD, experimental) | verena.spiegler@uni-muenster.de | Not Available | Not Available | 2023-10-24 | View Spectrum | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental) | verena.spiegler@uni-muenster.de | Not Available | Not Available | 2023-10-24 | View Spectrum | COSY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, CD3OD, experimental) | verena.spiegler@uni-muenster.de | Not Available | Not Available | 2023-10-24 | View Spectrum | 1D NMR | [13C, ] NMR Spectrum (2D, 151 MHz, CD3OD, experimental) | verena.spiegler@uni-muenster.de | Not Available | Not Available | 2023-10-24 | 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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