Record Information |
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Version | 1.0 |
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Created at | 2022-09-12 16:46:25 UTC |
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Updated at | 2022-09-12 16:46:26 UTC |
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NP-MRD ID | NP0330937 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | 2-[(1e,3s)-3-hydroxy-5-(4-methoxy-2,3,6-trimethylphenyl)-3-methylpent-1-en-1-yl]benzene-1,4-diol |
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Description | 2-[(1e,3s)-3-hydroxy-5-(4-methoxy-2,3,6-trimethylphenyl)-3-methylpent-1-en-1-yl]benzene-1,4-diol is found in Haliclona mucosa. Based on a literature review very few articles have been published on 2-[(1E,3S)-3-hydroxy-5-(4-methoxy-2,3,6-trimethylphenyl)-3-methylpent-1-en-1-yl]benzene-1,4-diol. |
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Structure | COC1=CC(C)=C(CC[C@](C)(O)\C=C\C2=CC(O)=CC=C2O)C(C)=C1C InChI=1S/C22H28O4/c1-14-12-21(26-5)16(3)15(2)19(14)9-11-22(4,25)10-8-17-13-18(23)6-7-20(17)24/h6-8,10,12-13,23-25H,9,11H2,1-5H3/b10-8+/t22-/m1/s1 |
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Synonyms | Not Available |
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Chemical Formula | C22H28O4 |
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Average Mass | 356.4620 Da |
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Monoisotopic Mass | 356.19876 Da |
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IUPAC Name | 2-[(1E,3S)-3-hydroxy-5-(4-methoxy-2,3,6-trimethylphenyl)-3-methylpent-1-en-1-yl]benzene-1,4-diol |
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Traditional Name | 2-[(1E,3S)-3-hydroxy-5-(4-methoxy-2,3,6-trimethylphenyl)-3-methylpent-1-en-1-yl]benzene-1,4-diol |
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CAS Registry Number | Not Available |
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SMILES | COC1=CC(C)=C(CC[C@](C)(O)\C=C\C2=CC(O)=CC=C2O)C(C)=C1C |
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InChI Identifier | InChI=1S/C22H28O4/c1-14-12-21(26-5)16(3)15(2)19(14)9-11-22(4,25)10-8-17-13-18(23)6-7-20(17)24/h6-8,10,12-13,23-25H,9,11H2,1-5H3/b10-8+/t22-/m1/s1 |
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InChI Key | JEYHRQCMOMICDC-DQACCSDVSA-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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