Record Information |
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Version | 1.0 |
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Created at | 2023-11-02 04:14:33 UTC |
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Updated at | 2024-05-04 05:44:27 UTC |
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NP-MRD ID | NP0332092 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Coriaceumin C |
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Description | Not Available |
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Structure | [H][C@@]12C[C@]1([H])C1=C(C(=O)NC1)[C@]([H])([C@H](C)CCC=C(C)C)[C@@H](C[C@H]2C)OC(C)=O InChI=1S/C22H33NO3/c1-12(2)7-6-8-13(3)20-19(26-15(5)24)9-14(4)16-10-17(16)18-11-23-22(25)21(18)20/h7,13-14,16-17,19-20H,6,8-11H2,1-5H3,(H,23,25)/t13-,14-,16+,17+,19-,20-/m1/s1 |
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Synonyms | Not Available |
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Chemical Formula | C22H33NO3 |
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Average Mass | 359.5100 Da |
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Monoisotopic Mass | 359.24604 Da |
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IUPAC Name | (2S,4S,5R,7R,8S)-5-methyl-8-[(2R)-6-methylhept-5-en-2-yl]-10-oxo-11-azatricyclo[7.3.0.0^{2,4}]dodec-1(9)-en-7-yl acetate |
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Traditional Name | (2S,4S,5R,7R,8S)-5-methyl-8-[(2R)-6-methylhept-5-en-2-yl]-10-oxo-11-azatricyclo[7.3.0.0^{2,4}]dodec-1(9)-en-7-yl acetate |
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CAS Registry Number | Not Available |
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SMILES | [H][C@@]12C[C@]1([H])C1=C(C(=O)NC1)[C@]([H])([C@H](C)CCC=C(C)C)[C@@H](C[C@H]2C)OC(C)=O |
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InChI Identifier | InChI=1S/C22H33NO3/c1-12(2)7-6-8-13(3)20-19(26-15(5)24)9-14(4)16-10-17(16)18-11-23-22(25)21(18)20/h7,13-14,16-17,19-20H,6,8-11H2,1-5H3,(H,23,25)/t13-,14-,16+,17+,19-,20-/m1/s1 |
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InChI Key | OCOZRMQOXRQSMF-VMCOHINHSA-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, 151 MHz, CDCl3, experimental) | mscjx2013@126.com | Not Available | Not Available | 2024-05-04 | View Spectrum | NOESY NMR | [1H, 1H] NMR Spectrum (2D, 601 MHz, CDCl3, experimental) | mscjx2013@126.com | Not Available | Not Available | 2023-11-02 | View Spectrum | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, CDCl3, experimental) | mscjx2013@126.com | Not Available | Not Available | 2023-11-02 | View Spectrum | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, CDCl3, experimental) | mscjx2013@126.com | Not Available | Not Available | 2023-11-02 | View Spectrum | COSY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, CDCl3, experimental) | mscjx2013@126.com | Not Available | Not Available | 2023-11-02 | View Spectrum | 1D NMR | [1H, ] NMR Spectrum (2D, 600 MHz, CDCl3, experimental) | mscjx2013@126.com | Not Available | Not Available | 2023-11-02 | View Spectrum | 1D NMR | [13C, ] NMR Spectrum (2D, 151 MHz, CDCl3, experimental) | mscjx2013@126.com | Not Available | Not Available | 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, 600, CDCl3, simulated) | mscjx2013@126.com | Nanchang University | Shui-Chun Mao | 2024-05-04 | View Spectrum |
| Species |
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Species of Origin | |
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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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