Record Information |
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Version | 1.0 |
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Created at | 2022-09-02 01:24:18 UTC |
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Updated at | 2022-09-02 01:24:18 UTC |
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NP-MRD ID | NP0146077 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | {2,5-dihydroxy-6-[(2e,4e,6e)-1-hydroxy-3,7,11-trimethyldodeca-2,4,6,10-tetraen-1-yl]-7-oxabicyclo[4.1.0]hept-3-en-3-yl}methyl acetate |
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Description | {2,5-dihydroxy-6-[(2e,4e,6e)-1-hydroxy-3,7,11-trimethyldodeca-2,4,6,10-tetraen-1-yl]-7-oxabicyclo[4.1.0]hept-3-en-3-yl}methyl acetate is found in Monacrosporium doedycoides. |
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Structure | CC(C)=CCC\C(C)=C\C=C\C(\C)=C\C(O)C12OC1C(O)C(COC(C)=O)=CC2O InChI=1S/C24H34O6/c1-15(2)8-6-9-16(3)10-7-11-17(4)12-20(26)24-21(27)13-19(14-29-18(5)25)22(28)23(24)30-24/h7-8,10-13,20-23,26-28H,6,9,14H2,1-5H3/b11-7+,16-10+,17-12+ |
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Synonyms | Not Available |
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Chemical Formula | C24H34O6 |
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Average Mass | 418.5300 Da |
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Monoisotopic Mass | 418.23554 Da |
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IUPAC Name | {2,5-dihydroxy-6-[(2E,4E,6E)-1-hydroxy-3,7,11-trimethyldodeca-2,4,6,10-tetraen-1-yl]-7-oxabicyclo[4.1.0]hept-3-en-3-yl}methyl acetate |
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Traditional Name | {2,5-dihydroxy-6-[(2E,4E,6E)-1-hydroxy-3,7,11-trimethyldodeca-2,4,6,10-tetraen-1-yl]-7-oxabicyclo[4.1.0]hept-3-en-3-yl}methyl acetate |
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CAS Registry Number | Not Available |
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SMILES | CC(C)=CCC\C(C)=C\C=C\C(\C)=C\C(O)C12OC1C(O)C(COC(C)=O)=CC2O |
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InChI Identifier | InChI=1S/C24H34O6/c1-15(2)8-6-9-16(3)10-7-11-17(4)12-20(26)24-21(27)13-19(14-29-18(5)25)22(28)23(24)30-24/h7-8,10-13,20-23,26-28H,6,9,14H2,1-5H3/b11-7+,16-10+,17-12+ |
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InChI Key | NDCFIPJZZPUYCA-FXNZOFNESA-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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