Record Information |
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Version | 1.0 |
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Created at | 2022-09-09 22:35:04 UTC |
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Updated at | 2022-09-09 22:35:04 UTC |
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NP-MRD ID | NP0291474 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | (9z,13e)-18-[(dimethylamino)methyl]-4,9,13-trimethyl-17-oxo-5,16-dioxatricyclo[13.3.0.0⁴,⁶]octadeca-9,13-dien-3-yl acetate |
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Description | Not Available |
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Structure | CN(C)CC1C2CC(OC(C)=O)C3(C)OC3CC\C(C)=C/CC\C(C)=C\C2OC1=O InChI=1S/C24H37NO5/c1-15-8-7-9-16(2)12-20-18(19(14-25(5)6)23(27)29-20)13-22(28-17(3)26)24(4)21(30-24)11-10-15/h8,12,18-22H,7,9-11,13-14H2,1-6H3/b15-8-,16-12+ |
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Synonyms | Not Available |
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Chemical Formula | C24H37NO5 |
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Average Mass | 419.5620 Da |
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Monoisotopic Mass | 419.26717 Da |
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IUPAC Name | (9Z,13E)-18-[(dimethylamino)methyl]-4,9,13-trimethyl-17-oxo-5,16-dioxatricyclo[13.3.0.0^{4,6}]octadeca-9,13-dien-3-yl acetate |
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Traditional Name | (9Z,13E)-18-[(dimethylamino)methyl]-4,9,13-trimethyl-17-oxo-5,16-dioxatricyclo[13.3.0.0^{4,6}]octadeca-9,13-dien-3-yl acetate |
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CAS Registry Number | Not Available |
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SMILES | CN(C)CC1C2CC(OC(C)=O)C3(C)OC3CC\C(C)=C/CC\C(C)=C\C2OC1=O |
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InChI Identifier | InChI=1S/C24H37NO5/c1-15-8-7-9-16(2)12-20-18(19(14-25(5)6)23(27)29-20)13-22(28-17(3)26)24(4)21(30-24)11-10-15/h8,12,18-22H,7,9-11,13-14H2,1-6H3/b15-8-,16-12+ |
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InChI Key | YRFDPBHMYDNGHG-NKDBYMJHSA-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 | Not Available |
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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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