Record Information |
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Version | 2.0 |
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Created at | 2023-09-26 16:03:12 UTC |
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Updated at | 2024-09-03 04:17:11 UTC |
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NP-MRD ID | NP0331840 |
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Natural Product DOI | https://doi.org/10.57994/0947 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | cyathin I |
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Description | Based on a literature review a small amount of articles have been published on cyathin I. |
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Structure | [H][C@]12C[C@H]3O[C@](O)([C@H](O)[C@@H]3CO)[C@]1(C)CC[C@@]1(C)C=CC(C(C)C)=C21 InChI=1S/C20H30O4/c1-11(2)12-5-6-18(3)7-8-19(4)14(16(12)18)9-15-13(10-21)17(22)20(19,23)24-15/h5-6,11,13-15,17,21-23H,7-10H2,1-4H3/t13-,14-,15-,17-,18-,19-,20-/m1/s1 |
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Synonyms | Not Available |
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Chemical Formula | C20H30O4 |
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Average Mass | 334.4560 Da |
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Monoisotopic Mass | 334.21441 Da |
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IUPAC Name | (1S,2R,5S,10R,12R,13S,14R)-13-(hydroxymethyl)-2,5-dimethyl-8-(propan-2-yl)-15-oxatetracyclo[10.2.1.0^{2,10}.0^{5,9}]pentadeca-6,8-diene-1,14-diol |
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Traditional Name | (1S,2R,5S,10R,12R,13S,14R)-13-(hydroxymethyl)-8-isopropyl-2,5-dimethyl-15-oxatetracyclo[10.2.1.0^{2,10}.0^{5,9}]pentadeca-6,8-diene-1,14-diol |
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CAS Registry Number | Not Available |
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SMILES | [H][C@]12C[C@H]3O[C@](O)([C@H](O)[C@@H]3CO)[C@]1(C)CC[C@@]1(C)C=CC(C(C)C)=C21 |
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InChI Identifier | InChI=1S/C20H30O4/c1-11(2)12-5-6-18(3)7-8-19(4)14(16(12)18)9-15-13(10-21)17(22)20(19,23)24-15/h5-6,11,13-15,17,21-23H,7-10H2,1-4H3/t13-,14-,15-,17-,18-,19-,20-/m1/s1 |
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InChI Key | XDTZGMNHQDYUSW-NRICFRBZSA-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, 126 MHz, CD3OD, experimental) | qjz@nwafu.edu.cn | Not Available | Not Available | 2023-09-26 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, CD3OD, experimental) | qjz@nwafu.edu.cn | Not Available | Not Available | 2023-09-26 | 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 | 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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