Record Information |
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Version | 2.0 |
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Created at | 2022-09-02 11:33:06 UTC |
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Updated at | 2022-09-02 11:33:06 UTC |
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NP-MRD ID | NP0154606 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | 2,6-dimethyl-3-[(2,5,6-trihydroxy-2,6-dimethyloct-7-en-3-yl)oxy]oct-7-ene-2,5,6-triol |
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Description | 3,3'-Oxybis(2,6-dimethyl-7-octene-2,5,6-triol) belongs to the class of organic compounds known as tertiary alcohols. Tertiary alcohols are compounds in which a hydroxy group, -OH, is attached to a saturated carbon atom R3COH (R not H ). 2,6-dimethyl-3-[(2,5,6-trihydroxy-2,6-dimethyloct-7-en-3-yl)oxy]oct-7-ene-2,5,6-triol is found in Dictyophora indusiata. Based on a literature review very few articles have been published on 3,3'-Oxybis(2,6-dimethyl-7-octene-2,5,6-triol). |
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Structure | CC(C)(O)C(CC(O)C(C)(O)C=C)OC(CC(O)C(C)(O)C=C)C(C)(C)O InChI=1S/C20H38O7/c1-9-19(7,25)13(21)11-15(17(3,4)23)27-16(18(5,6)24)12-14(22)20(8,26)10-2/h9-10,13-16,21-26H,1-2,11-12H2,3-8H3 |
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Synonyms | Not Available |
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Chemical Formula | C20H38O7 |
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Average Mass | 390.5170 Da |
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Monoisotopic Mass | 390.26175 Da |
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IUPAC Name | 2,6-dimethyl-3-[(2,5,6-trihydroxy-2,6-dimethyloct-7-en-3-yl)oxy]oct-7-ene-2,5,6-triol |
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Traditional Name | 2,6-dimethyl-3-[(2,5,6-trihydroxy-2,6-dimethyloct-7-en-3-yl)oxy]oct-7-ene-2,5,6-triol |
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CAS Registry Number | Not Available |
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SMILES | CC(C)(O)C(CC(O)C(C)(O)C=C)OC(CC(O)C(C)(O)C=C)C(C)(C)O |
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InChI Identifier | InChI=1S/C20H38O7/c1-9-19(7,25)13(21)11-15(17(3,4)23)27-16(18(5,6)24)12-14(22)20(8,26)10-2/h9-10,13-16,21-26H,1-2,11-12H2,3-8H3 |
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InChI Key | AFYKJKWLNLIKRG-UHFFFAOYSA-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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Description | Belongs to the class of organic compounds known as tertiary alcohols. Tertiary alcohols are compounds in which a hydroxy group, -OH, is attached to a saturated carbon atom R3COH (R not H ). |
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Kingdom | Organic compounds |
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Super Class | Organic oxygen compounds |
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Class | Organooxygen compounds |
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Sub Class | Alcohols and polyols |
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Direct Parent | Tertiary alcohols |
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Alternative Parents | |
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Substituents | - Tertiary alcohol
- Secondary alcohol
- Polyol
- Ether
- Dialkyl ether
- Hydrocarbon derivative
- Aliphatic acyclic compound
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Molecular Framework | Aliphatic acyclic compounds |
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External Descriptors | Not Available |
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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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