| Record Information |
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| Version | 2.0 |
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| Created at | 2022-09-12 15:33:41 UTC |
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| Updated at | 2022-09-12 15:33:41 UTC |
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| NP-MRD ID | NP0330325 |
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| Secondary Accession Numbers | None |
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| Natural Product Identification |
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| Common Name | (3ar,4r,6r,7r,11ar)-6,7-dihydroxy-6,10-dimethyl-3-methylidene-4-(2-methylpropoxy)-3ah,4h,5h,7h,8h,11ah-cyclodeca[b]furan-2,9-dione |
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| Description | (3ar,4r,6r,7r,11ar)-6,7-dihydroxy-6,10-dimethyl-3-methylidene-4-(2-methylpropoxy)-3ah,4h,5h,7h,8h,11ah-cyclodeca[b]furan-2,9-dione is found in Greenmaniella resinosa. Based on a literature review very few articles have been published on (3aR,4R,6R,7R,11aR)-6,7-dihydroxy-6,10-dimethyl-3-methylidene-4-(2-methylpropoxy)-2H,3H,3aH,4H,5H,6H,7H,8H,9H,11aH-cyclodeca[b]furan-2,9-dione. |
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| Structure | CC(C)CO[C@@H]1C[C@@](C)(O)[C@H](O)CC(=O)\C(C)=C/[C@H]2OC(=O)C(=C)[C@H]12 InChI=1S/C19H28O6/c1-10(2)9-24-15-8-19(5,23)16(21)7-13(20)11(3)6-14-17(15)12(4)18(22)25-14/h6,10,14-17,21,23H,4,7-9H2,1-3,5H3/b11-6-/t14-,15-,16-,17+,19-/m1/s1 |
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| Synonyms | Not Available |
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| Chemical Formula | C19H28O6 |
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| Average Mass | 352.4270 Da |
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| Monoisotopic Mass | 352.18859 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 | CC(C)CO[C@@H]1C[C@@](C)(O)[C@H](O)CC(=O)\C(C)=C/[C@H]2OC(=O)C(=C)[C@H]12 |
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| InChI Identifier | InChI=1S/C19H28O6/c1-10(2)9-24-15-8-19(5,23)16(21)7-13(20)11(3)6-14-17(15)12(4)18(22)25-14/h6,10,14-17,21,23H,4,7-9H2,1-3,5H3/b11-6-/t14-,15-,16-,17+,19-/m1/s1 |
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| InChI Key | WIAFBXPGOMBRSI-HNIKJNCUSA-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, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 100 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 252 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 50 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 200 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 75 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 300 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 101 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 126 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 151 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 176 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 700 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 201 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 800 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 226 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 900 MHz, H2O, 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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