Record Information |
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Version | 1.0 |
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Created at | 2024-02-20 08:13:11 UTC |
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Updated at | 2024-04-19 10:10:21 UTC |
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NP-MRD ID | NP0332522 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Biscognicampherenol A |
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Description | Not Available |
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Structure | CC(C)=CCC[C@]1(C)[C@@H]2C[C@@H](O)[C@@]1(C)[C@@H](O)[C@H]2O InChI=1S/C15H26O3/c1-9(2)6-5-7-14(3)10-8-11(16)15(14,4)13(18)12(10)17/h6,10-13,16-18H,5,7-8H2,1-4H3/t10-,11-,12+,13+,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 | (1S,2S,3R,4S,5R,7R)-4,7-dimethyl-7-(4-methylpent-3-en-1-yl)bicyclo[2.2.1]heptane-2,3,5-triol |
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Traditional Name | (1S,2S,3R,4S,5R,7R)-4,7-dimethyl-7-(4-methylpent-3-en-1-yl)bicyclo[2.2.1]heptane-2,3,5-triol |
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CAS Registry Number | Not Available |
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SMILES | CC(C)=CCC[C@]1(C)[C@@H]2C[C@@H](O)[C@@]1(C)[C@@H](O)[C@H]2O |
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InChI Identifier | InChI=1S/C15H26O3/c1-9(2)6-5-7-14(3)10-8-11(16)15(14,4)13(18)12(10)17/h6,10-13,16-18H,5,7-8H2,1-4H3/t10-,11-,12+,13+,14-,15+/m1/s1 |
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InChI Key | FKXWEGVIRBCNJV-YRKSKIDTSA-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 | [13C, ] NMR Spectrum (2D, 101 MHz, CD3OD, experimental) | xinyan_8339@126.com | Not Available | Not Available | 2024-02-20 | View Spectrum | 1D NMR | [13C, ] NMR Spectrum (2D, 101 MHz, CD3OD, experimental) | xinyan_8339@126.com | Not Available | Not Available | 2024-02-20 | View Spectrum | 1D NMR | [1H, ] NMR Spectrum (2D, 600 MHz, CD3OD, experimental) | xinyan_8339@126.com | Not Available | Not Available | 2024-02-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600.15408102 MHz, CD3OD, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 100.624339468 MHz, CD3OD, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 100.623836405 MHz, CD3OD, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | 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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