Record Information |
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Version | 1.0 |
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Created at | 2022-12-23 16:00:38 UTC |
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Updated at | 2024-04-19 09:40:11 UTC |
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NP-MRD ID | NP0331406 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Sarcophynoid A |
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Description | Not Available |
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Structure | COC(C)(C)C1=C/C=C(C)/CC\C=C(C)/CC\C=C(C)\CC\1 InChI=1S/C21H34O/c1-17-9-7-11-18(2)13-15-20(21(4,5)22-6)16-14-19(3)12-8-10-17/h9,12-13,15H,7-8,10-11,14,16H2,1-6H3/b17-9-,18-13+,19-12+,20-15+ |
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Synonyms | Not Available |
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Chemical Formula | C21H34O |
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Average Mass | 302.5020 Da |
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Monoisotopic Mass | 302.26097 Da |
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IUPAC Name | Not Available |
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Traditional Name | Not Available |
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CAS Registry Number | Not Available |
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SMILES | COC(C)(C)C1=C/C=C(C)/CC\C=C(C)/CC\C=C(C)\CC\1 |
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InChI Identifier | InChI=1S/C21H34O/c1-17-9-7-11-18(2)13-15-20(21(4,5)22-6)16-14-19(3)12-8-10-17/h9,12-13,15H,7-8,10-11,14,16H2,1-6H3/b17-9-,18-13+,19-12+,20-15+ |
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InChI Key | QXGVOMSWYZZCPU-HPSDZDSQSA-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 | [1H, ] NMR Spectrum (2D, 600 MHz, CDCl3, experimental) | yanxia@nbu.edu.cn | Not Available | Not Available | 2022-12-23 | View Spectrum | 1D NMR | [1H, ] NMR Spectrum (2D, 600 MHz, CDCl3, experimental) | yanxia@nbu.edu.cn | Not Available | Not Available | 2022-12-23 | View Spectrum | 1D NMR | [1H, ] NMR Spectrum (2D, 600 MHz, CDCl3, experimental) | yanxia@nbu.edu.cn | Not Available | Not Available | 2022-12-23 | View Spectrum | 1D NMR | [1H, ] NMR Spectrum (2D, 600 MHz, CDCl3, experimental) | yanxia@nbu.edu.cn | Not Available | Not Available | 2022-12-23 | View Spectrum | 1D NMR | [1H, ] NMR Spectrum (2D, 600 MHz, CDCl3, experimental) | yanxia@nbu.edu.cn | Not Available | Not Available | 2022-12-23 | View Spectrum | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, CDCl3, experimental) | yanxia@nbu.edu.cn | Not Available | Not Available | 2022-12-23 | View Spectrum | 1D NMR | [1H, ] NMR Spectrum (2D, 600 MHz, CDCl3, experimental) | yanxia@nbu.edu.cn | Not Available | Not Available | 2022-12-23 | View Spectrum | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, CDCl3, experimental) | yanxia@nbu.edu.cn | Not Available | Not Available | 2022-12-23 | View Spectrum | 1D NMR | [13C, ] NMR Spectrum (2D, 151 MHz, CDCl3, experimental) | yanxia@nbu.edu.cn | Not Available | Not Available | 2022-12-23 | View Spectrum | COSY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, CDCl3, experimental) | yanxia@nbu.edu.cn | Not Available | Not Available | 2022-12-23 | View Spectrum | 1D NMR | [1H, ] NMR Spectrum (2D, 600 MHz, CDCl3, experimental) | yanxia@nbu.edu.cn | Not Available | Not Available | 2022-12-23 | View Spectrum | 1D NMR | [13C, ] NMR Spectrum (2D, 151 MHz, CDCl3, experimental) | yanxia@nbu.edu.cn | Not Available | Not Available | 2022-12-23 | 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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