Record Information |
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Version | 1.0 |
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Created at | 2023-11-02 12:05:41 UTC |
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Updated at | 2024-05-04 05:44:23 UTC |
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NP-MRD ID | NP0332096 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | maydistacin D |
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Description | Not Available |
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Structure | [H][C@]12C[C@H]3O[C@]3(C)[C@@H](O)CC\C(C)=C\CC\C(C)=C\C[C@]1(C)C(=O)C(O)=C2[C@H](C)CO InChI=1S/C25H38O5/c1-15-7-6-8-16(2)11-12-24(4)18(21(17(3)14-26)22(28)23(24)29)13-20-25(5,30-20)19(27)10-9-15/h7,11,17-20,26-28H,6,8-10,12-14H2,1-5H3/b15-7+,16-11+/t17-,18-,19+,20-,24+,25-/m1/s1 |
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Synonyms | Not Available |
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Chemical Formula | C25H38O5 |
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Average Mass | 418.5740 Da |
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Monoisotopic Mass | 418.27192 Da |
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IUPAC Name | (1R,3R,5R,6S,9E,13E,16S)-6,18-dihydroxy-19-[(2S)-1-hydroxypropan-2-yl]-5,9,13,16-tetramethyl-4-oxatricyclo[14.3.0.0^{3,5}]nonadeca-9,13,18-trien-17-one |
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Traditional Name | (1R,3R,5R,6S,9E,13E,16S)-6,18-dihydroxy-19-[(2S)-1-hydroxypropan-2-yl]-5,9,13,16-tetramethyl-4-oxatricyclo[14.3.0.0^{3,5}]nonadeca-9,13,18-trien-17-one |
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CAS Registry Number | Not Available |
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SMILES | [H][C@]12C[C@H]3O[C@]3(C)[C@@H](O)CC\C(C)=C\CC\C(C)=C\C[C@]1(C)C(=O)C(O)=C2[C@H](C)CO |
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InChI Identifier | InChI=1S/C25H38O5/c1-15-7-6-8-16(2)11-12-24(4)18(21(17(3)14-26)22(28)23(24)29)13-20-25(5,30-20)19(27)10-9-15/h7,11,17-20,26-28H,6,8-10,12-14H2,1-5H3/b15-7+,16-11+/t17-,18-,19+,20-,24+,25-/m1/s1 |
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InChI Key | RIVQZHSDBHHXSZ-JPVLAUDRSA-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_DEPT NMR | 13C NMR Spectrum (1D, 101 MHz, CD3OD, experimental) | 791009327@qq.com | School of Pharmacy, Tongji Medical College, Huazhong University of Science and Technology | Zhengyi Shi | 2024-05-04 | View Spectrum | NOESY NMR | [1H, 1H] NMR Spectrum (2D, 400 MHz, CD3OD, experimental) | 791009327@qq.com | School of Pharmacy, Tongji Medical College, Huazhong University of Science and Technology | Zhengyi Shi | 2023-11-02 | View Spectrum | COSY NMR | [1H, 1H] NMR Spectrum (2D, 400 MHz, CD3OD, experimental) | 791009327@qq.com | School of Pharmacy, Tongji Medical College, Huazhong University of Science and Technology | Zhengyi Shi | 2023-11-02 | View Spectrum | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 400 MHz, CD3OD, experimental) | 791009327@qq.com | School of Pharmacy, Tongji Medical College, Huazhong University of Science and Technology | Zhengyi Shi | 2023-11-02 | View Spectrum | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 400 MHz, CD3OD, experimental) | 791009327@qq.com | School of Pharmacy, Tongji Medical College, Huazhong University of Science and Technology | Zhengyi Shi | 2023-11-02 | View Spectrum | 1D NMR | [13C, ] NMR Spectrum (2D, 101 MHz, CD3OD, experimental) | 791009327@qq.com | School of Pharmacy, Tongji Medical College, Huazhong University of Science and Technology | Zhengyi Shi | 2023-11-02 | View Spectrum | 1D NMR | [1H, ] NMR Spectrum (2D, 400 MHz, CD3OD, experimental) | 791009327@qq.com | School of Pharmacy, Tongji Medical College, Huazhong University of Science and Technology | Zhengyi Shi | 2023-11-02 | View Spectrum |
| Predicted Spectra |
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| Not Available | Chemical Shift Submissions |
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| Spectrum Type | Description | Depositor Email | Depositor Organization | Depositor | Deposition Date | View |
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1D NMR | 1H NMR Spectrum (1D, 400, CD3OD, simulated) | 791009327@qq.com | School of Pharmacy, Tongji Medical College, Huazhong University of Science and Technology | Zhengyi Shi | 2024-05-04 | View Spectrum |
| Species |
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Species of Origin | Species Name | Source | Reference |
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maydis | | |
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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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