| Record Information |
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| Version | 2.0 |
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| Created at | 2021-01-05 23:33:46 UTC |
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| Updated at | 2021-07-15 17:17:08 UTC |
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| NP-MRD ID | NP0014375 |
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| Secondary Accession Numbers | None |
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| Natural Product Identification |
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| Common Name | Ramarin A |
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| Provided By | NPAtlas |
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| Description | Ramarin A is found in Ramaria formosa. Ramarin A was first documented in 2015 (PMID: 26133070). Based on a literature review very few articles have been published on (1S,1aS,1bS,2S,5S,7aS)-5-hydroxy-1-(hydroxymethyl)-1,1b,2-trimethyl-1H,1aH,1bH,2H,3H,4H,5H,7H,7aH-cyclopropa[a]naphthalen-7-one. |
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| Structure | [H]OC([H])([H])[C@]1(C([H])([H])[H])[C@@]2([H])C(=O)C([H])=C3[C@@]([H])(O[H])C([H])([H])C([H])([H])[C@]([H])(C([H])([H])[H])[C@@]3(C([H])([H])[H])[C@@]12[H] InChI=1S/C15H22O3/c1-8-4-5-10(17)9-6-11(18)12-13(15(8,9)3)14(12,2)7-16/h6,8,10,12-13,16-17H,4-5,7H2,1-3H3/t8-,10-,12-,13+,14+,15+/m0/s1 |
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| Synonyms | Not Available |
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| Chemical Formula | C15H22O3 |
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| Average Mass | 250.3380 Da |
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| Monoisotopic Mass | 250.15689 Da |
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| IUPAC Name | (1S,1aS,4S,7S,7aS,7bS)-4-hydroxy-1-(hydroxymethyl)-1,7,7a-trimethyl-1H,1aH,2H,4H,5H,6H,7H,7aH,7bH-cyclopropa[a]naphthalen-2-one |
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| Traditional Name | (1S,1aS,4S,7S,7aS,7bS)-4-hydroxy-1-(hydroxymethyl)-1,7,7a-trimethyl-1aH,4H,5H,6H,7H,7bH-cyclopropa[a]naphthalen-2-one |
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| CAS Registry Number | Not Available |
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| SMILES | C[C@H]1CC[C@H](O)C2=CC(=O)[C@H]3[C@H]([C@]3(C)CO)[C@]12C |
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| InChI Identifier | InChI=1S/C15H22O3/c1-8-4-5-10(17)9-6-11(18)12-13(15(8,9)3)14(12,2)7-16/h6,8,10,12-13,16-17H,4-5,7H2,1-3H3/t8-,10-,12-,13+,14+,15+/m0/s1 |
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| InChI Key | OXMLIAHQTBPUGH-KHYIKBLESA-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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