Record Information |
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Version | 1.0 |
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Created at | 2023-09-13 16:00:48 UTC |
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Updated at | 2024-09-03 04:17:01 UTC |
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NP-MRD ID | NP0331809 |
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DOI | https://doi.org/10.57994/0896 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | (1R,4R,6R,9R,10S)-9-Hydroxymethyl-4,12,12-trimethyl-5-oxatricyclo[8.2.0.04,6]dodecane-9-ol |
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Description | Not Available |
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Structure | [H][C@]12CC(C)(C)[C@]1([H])CC[C@@]1(C)O[C@@H]1CC[C@]2(O)CO InChI=1S/C15H26O3/c1-13(2)8-11-10(13)4-6-14(3)12(18-14)5-7-15(11,17)9-16/h10-12,16-17H,4-9H2,1-3H3/t10-,11+,12-,14-,15+/m1/s1 |
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Synonyms | Not Available |
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Chemical Formula | C15H26O3 |
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Average Mass | 254.3700 Da |
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Monoisotopic Mass | 254.18819 Da |
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IUPAC Name | (1R,4R,6R,9R,10S)-9-(hydroxymethyl)-4,12,12-trimethyl-5-oxatricyclo[8.2.0.0^{4,6}]dodecan-9-ol |
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Traditional Name | (1R,4R,6R,9R,10S)-9-(hydroxymethyl)-4,12,12-trimethyl-5-oxatricyclo[8.2.0.0^{4,6}]dodecan-9-ol |
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CAS Registry Number | Not Available |
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SMILES | [H][C@]12CC(C)(C)[C@]1([H])CC[C@@]1(C)O[C@@H]1CC[C@]2(O)CO |
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InChI Identifier | InChI=1S/C15H26O3/c1-13(2)8-11-10(13)4-6-14(3)12(18-14)5-7-15(11,17)9-16/h10-12,16-17H,4-9H2,1-3H3/t10-,11+,12-,14-,15+/m1/s1 |
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InChI Key | OHDVDXBNIVPOOL-OGMFBOKVSA-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 (1D, 400 MHz, CDCl3, experimental) | Not Available | LIOS | Georgijs Stakanovs | 2024-05-08 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 101 MHz, CDCl3, experimental) | Not Available | LIOS | Georgijs Stakanovs | 2024-05-08 | View Spectrum | 1D NMR | [1H, ] NMR Spectrum (2D, 400 MHz, CDCl3, experimental) | Not Available | Latvian Institute of Organic Synthesis | Georgijs Stakanovs | 2023-09-18 | View Spectrum | 1D NMR | [13C, ] NMR Spectrum (2D, 101 MHz, CDCl3, experimental) | Not Available | Latvian Institute of Organic Synthesis | Georgijs Stakanovs | 2023-09-18 | View Spectrum | 1D NMR | [1H, ] NMR Spectrum (2D, 400 MHz, CDCl3, experimental) | Not Available | Not Available | Georgijs Stakanovs | 2023-09-13 | View Spectrum | 1D NMR | [13C, ] NMR Spectrum (2D, 101 MHz, CDCl3, experimental) | Not Available | Not Available | Georgijs Stakanovs | 2023-09-13 | 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 | 13C NMR Spectrum (1D, 100.578570142, CDCl3, simulated) | st_george@inbox.lv | Latvian Institute of Organic Synthesis | Georgijs Stakanovs | 2024-05-14 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 101, CDCl3, simulated) | st_george@inbox.lv | Latvian Institute of Organic Synthesis | Georgijs Stakanovs | 2024-05-08 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 101, CDCl3, simulated) | st_george@inbox.lv | Latvian Institute of Organic Synthesis | Georgijs Stakanovs | 2024-05-08 | View Spectrum |
| 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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