Record Information |
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Version | 1.0 |
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Created at | 2023-11-30 20:02:02 UTC |
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Updated at | 2024-05-13 01:10:52 UTC |
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NP-MRD ID | NP0332171 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Periconianone D |
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Description | It was first documented in 2023 (PMID: 37159940). Based on a literature review very few articles have been published on Periconianone D. |
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Structure | C[C@H]1C(=O)C=CC2=C[C@@H](O)[C@@](O)(C[C@]12C)C(C)=C InChI=1S/C15H20O3/c1-9(2)15(18)8-14(4)10(3)12(16)6-5-11(14)7-13(15)17/h5-7,10,13,17-18H,1,8H2,2-4H3/t10-,13+,14+,15+/m0/s1 |
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Synonyms | Not Available |
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Chemical Formula | C15H20O3 |
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Average Mass | 248.3220 Da |
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Monoisotopic Mass | 248.14124 Da |
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IUPAC Name | (1R,6R,7R,8aR)-6,7-dihydroxy-1,8a-dimethyl-7-(prop-1-en-2-yl)-1,2,6,7,8,8a-hexahydronaphthalen-2-one |
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Traditional Name | (1R,6R,7R,8aR)-6,7-dihydroxy-1,8a-dimethyl-7-(prop-1-en-2-yl)-6,8-dihydro-1H-naphthalen-2-one |
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CAS Registry Number | Not Available |
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SMILES | C[C@H]1C(=O)C=CC2=C[C@@H](O)[C@@](O)(C[C@]12C)C(C)=C |
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InChI Identifier | InChI=1S/C15H20O3/c1-9(2)15(18)8-14(4)10(3)12(16)6-5-11(14)7-13(15)17/h5-7,10,13,17-18H,1,8H2,2-4H3/t10-,13+,14+,15+/m0/s1 |
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InChI Key | UGTYVYRNQRLCRY-CJYSPXJISA-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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HMBC NMR | [1H, 13C] NMR Spectrum (2D, 500 MHz, C2D6OS, experimental) | dongdong.wang@nih.gov | NCI-Frederick | Dong Wang | 2024-05-11 | View Spectrum | COSY NMR | [1H, 1H] NMR Spectrum (2D, 500 MHz, C2D6OS, experimental) | dongdong.wang@nih.gov | NCI-Frederick | Dong Wang | 2024-05-11 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 126 MHz, C2D6OS, experimental) | dongdong.wang@nih.gov | NCI-Frederick | Dong Wang | 2024-05-11 | View Spectrum | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 500 MHz, C2D6OS, experimental) | dongdong.wang@nih.gov | NCI-Frederick | Dong Wang | 2024-05-11 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, C2D6OS, experimental) | dongdong.wang@nih.gov | NCI-Frederick | Dong Wang | 2024-05-11 | View Spectrum | ROESY NMR | [1H, 1H] NMR Spectrum (2D, 500 MHz, C2D6OS, experimental) | dongdong.wang@nih.gov | NCI-Frederick | Dong Wang | 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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General References | - Sun B, Wang D, Ren J, Wang C, Yan P, Gustafson KR, Jiang W: Paraconulones A-G: Eremophilane Sesquiterpenoids from the Marine-Derived Fungus Paraconiothyrium sporulosum DL-16. J Nat Prod. 2023 May 26;86(5):1360-1369. doi: 10.1021/acs.jnatprod.3c00221. Epub 2023 May 9. [PubMed:37159940 ]
- Sun B, Wang D, Ren J, Wang C, Yan P, Gustafson KR, Jiang W: Paraconulones A-G: Eremophilane Sesquiterpenoids from the Marine-Derived Fungus Paraconiothyrium sporulosum DL-16. J Nat Prod. 2023 May 26;86(5):1360-1369. doi: 10.1021/acs.jnatprod.3c00221. Epub 2023 May 9. [PubMed:37159940 ]
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