| Record Information |
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| Version | 2.0 |
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| Created at | 2022-11-16 21:40:14 UTC |
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| Updated at | 2024-09-03 04:15:32 UTC |
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| NP-MRD ID | NP0331134 |
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| Natural Product DOI | https://doi.org/10.57994/0301 |
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| Secondary Accession Numbers | None |
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| Natural Product Identification |
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| Common Name | 12-Hydroxy-2-oxo-11-epi-hinesol |
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| Description | 12-Hydroxy-2-oxo-11-epi-hinesol was first documented in 2022 (PMID: 35142496). |
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| Structure | [H][C@]1(CC[C@]2(C1)[C@@H](C)CC(=O)C=C2C)[C@](C)(O)CO InChI=1S/C15H24O3/c1-10-6-13(17)7-11(2)15(10)5-4-12(8-15)14(3,18)9-16/h6,11-12,16,18H,4-5,7-9H2,1-3H3/t11-,12+,14+,15+/m0/s1 |
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| Synonyms | Not Available |
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| Chemical Formula | C15H24O3 |
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| Average Mass | 252.3540 Da |
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| Monoisotopic Mass | 252.17254 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 | [H][C@]1(CC[C@]2(C1)[C@@H](C)CC(=O)C=C2C)[C@](C)(O)CO |
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| InChI Identifier | InChI=1S/C15H24O3/c1-10-6-13(17)7-11(2)15(10)5-4-12(8-15)14(3,18)9-16/h6,11-12,16,18H,4-5,7-9H2,1-3H3/t11-,12+,14+,15+/m0/s1 |
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| InChI Key | FWLWCLDHPUPCHO-CTHBEMJXSA-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) | philipwi@hawaii.edu | Not Available | Not Available | 2024-05-12 | View Spectrum | | 1D_TOCSY NMR | 1H NMR Spectrum (1D, 600 MHz, CDCL3, experimental) | philipwi@hawaii.edu | Not Available | Not Available | 2024-05-12 | View Spectrum | | 1D_TOCSY NMR | 1H NMR Spectrum (1D, 600 MHz, CDCL3, experimental) | philipwi@hawaii.edu | Not Available | Not Available | 2024-05-12 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, CDCL3, experimental) | philipwi@hawaii.edu | Not Available | Not Available | 2024-05-12 | View Spectrum | | 1D_TOCSY NMR | 1H NMR Spectrum (1D, 600 MHz, CDCL3, experimental) | philipwi@hawaii.edu | Not Available | Not Available | 2024-05-12 | View Spectrum | | 1D_TOCSY NMR | 1H NMR Spectrum (1D, 600 MHz, CDCL3, experimental) | philipwi@hawaii.edu | Not Available | Not Available | 2024-05-12 | View Spectrum | | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, CDCL3, experimental) | philipwi@hawaii.edu | Not Available | Not Available | 2024-05-12 | View Spectrum | | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, CDCL3, experimental) | philipwi@hawaii.edu | Not Available | Not Available | 2024-05-12 | View Spectrum | | COSY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, CDCL3, experimental) | philipwi@hawaii.edu | Not Available | Not Available | 2024-05-12 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, CDCL3, experimental) | philipwi@hawaii.edu | Not Available | Not Available | 2024-05-12 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 151 MHz, CDCL3, experimental) | philipwi@hawaii.edu | Not Available | Not Available | 2024-05-12 | 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 | | Species Name | Source | Reference |
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| Calothrix sp. R-3-1 | | |
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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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