| Record Information |
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| Version | 1.0 |
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| Created at | 2023-01-16 20:01:20 UTC |
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| Updated at | 2024-05-13 01:15:14 UTC |
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| NP-MRD ID | NP0331463 |
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| Secondary Accession Numbers | None |
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| Natural Product Identification |
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| Common Name | Baccaramione D |
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| Description | Not Available |
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| Structure | COC1=CC2=C3C=CC(=O)C(C)(C)[C@]3(C)C=CC2=C(OC)C1=O InChI=1S/C19H20O4/c1-18(2)15(20)7-6-13-12-10-14(22-4)16(21)17(23-5)11(12)8-9-19(13,18)3/h6-10H,1-5H3/t19-/m1/s1 |
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| Synonyms | Not Available |
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| Chemical Formula | C19H20O4 |
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| Average Mass | 312.3650 Da |
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| Monoisotopic Mass | 312.13616 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 | COC1=CC2=C3C=CC(=O)C(C)(C)[C@]3(C)C=CC2=C(OC)C1=O |
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| InChI Identifier | InChI=1S/C19H20O4/c1-18(2)15(20)7-6-13-12-10-14(22-4)16(21)17(23-5)11(12)8-9-19(13,18)3/h6-10H,1-5H3/t19-/m1/s1 |
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| InChI Key | KSZRIOOMZYSDJH-LJQANCHMSA-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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| NOESY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, CDCl3, experimental) | zbbrush@simm.ac.cn | Not Available | Not Available | 2024-05-11 | View Spectrum | | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, CDCl3, experimental) | zbbrush@simm.ac.cn | Not Available | Not Available | 2024-05-11 | View Spectrum | | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, CDCl3, experimental) | zbbrush@simm.ac.cn | Not Available | Not Available | 2024-05-11 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, CDCl3, experimental) | zbbrush@simm.ac.cn | Not Available | Not Available | 2024-05-11 | View Spectrum | | 1D_DEPT NMR | 13C NMR Spectrum (1D, 151 MHz, CDCl3, experimental) | zbbrush@simm.ac.cn | Not Available | Not Available | 2024-05-11 | View Spectrum | | COSY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, CDCl3, experimental) | zbbrush@simm.ac.cn | Not Available | Not Available | 2024-05-11 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 151 MHz, CDCl3, experimental) | zbbrush@simm.ac.cn | Not Available | Not Available | 2024-05-11 | 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 | |
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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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| External Links |
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| External Links | Not Available |
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| References |
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| General References | - Chen SS, Tong X, Liu XY, Zheng CY, Zhou JS, Fan YY, He SJ, Zhou B, Yue JM: Baccaramiones A-D, Four Highly Oxygenated and Rearranged Trinorditerpenoids from Baccaurea ramiflora. J Org Chem. 2023 Jan 6;88(1):455-461. doi: 10.1021/acs.joc.2c02442. Epub 2022 Dec 14. [PubMed:36516399 ]
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