Record Information |
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Version | 1.0 |
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Created at | 2021-01-05 22:23:33 UTC |
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Updated at | 2021-07-15 17:12:51 UTC |
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NP-MRD ID | NP0012833 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | (+)-(1R,3R,6S,7S,11S)-3,12-dihydroxy-α-muurolene |
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Provided By | NPAtlas |
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Description | (+)-(1R,3R,6S,7S,11S)-3,12-dihydroxy-α-muurolene is found in Trichaptum and Trichaptum biforme. It was first documented in 2014 (PMID: 24837356). Based on a literature review very few articles have been published on (2R,4aS,5S,8aR)-5-[(2S)-1-hydroxypropan-2-yl]-3,8-dimethyl-1,2,4a,5,6,8a-hexahydronaphthalen-2-ol. |
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Structure | [H]OC([H])([H])[C@@]([H])(C([H])([H])[H])[C@@]1([H])C([H])([H])C([H])=C(C([H])([H])[H])[C@]2([H])C([H])([H])[C@@]([H])(O[H])C(=C([H])[C@]12[H])C([H])([H])[H] InChI=1S/C15H24O2/c1-9-4-5-12(11(3)8-16)14-6-10(2)15(17)7-13(9)14/h4,6,11-17H,5,7-8H2,1-3H3/t11-,12-,13+,14-,15-/m1/s1 |
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Synonyms | Value | Source |
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(+)-(1R,3R,6S,7S,11S)-3,12-Dihydroxy-a-muurolene | Generator | (+)-(1R,3R,6S,7S,11S)-3,12-Dihydroxy-α-muurolene | Generator |
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Chemical Formula | C15H24O2 |
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Average Mass | 236.3550 Da |
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Monoisotopic Mass | 236.17763 Da |
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IUPAC Name | (2R,4aS,5S,8aR)-5-[(2S)-1-hydroxypropan-2-yl]-3,8-dimethyl-1,2,4a,5,6,8a-hexahydronaphthalen-2-ol |
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Traditional Name | (2R,4aS,5S,8aR)-5-[(2S)-1-hydroxypropan-2-yl]-3,8-dimethyl-1,2,4a,5,6,8a-hexahydronaphthalen-2-ol |
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CAS Registry Number | Not Available |
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SMILES | C[C@H](CO)[C@H]1CC=C(C)[C@@H]2C[C@@H](O)C(C)=C[C@H]12 |
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InChI Identifier | InChI=1S/C15H24O2/c1-9-4-5-12(11(3)8-16)14-6-10(2)15(17)7-13(9)14/h4,6,11-17H,5,7-8H2,1-3H3/t11-,12-,13+,14-,15-/m1/s1 |
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InChI Key | KOEIHUNMBSXMQT-UXXRCYHCSA-N |
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Experimental Spectra |
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| Not Available | Predicted Spectra |
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| Spectrum Type | Description | Depositor ID | Depositor Organization | Depositor | Deposition Date | View |
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1D NMR | 13C NMR Spectrum (1D, 25 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 100 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 252 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 50 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 200 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 75 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 300 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 101 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 126 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 151 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 176 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 700 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 201 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 800 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 226 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 900 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum |
| 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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