| Record Information |
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| Version | 2.0 |
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| Created at | 2022-09-08 19:10:43 UTC |
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| Updated at | 2022-09-08 19:10:43 UTC |
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| NP-MRD ID | NP0272528 |
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| Secondary Accession Numbers | None |
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| Natural Product Identification |
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| Common Name | (4z,6e,8e,10e,12e,14e,16e,18e,20e,22e,26e)-30-hydroxy-2-methoxy-2,6,10,14,19,23,27,30-octamethylhentriaconta-4,6,8,10,12,14,16,18,20,22,26-undecaen-3-one |
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| Description | Not Available |
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| Structure | COC(C)(C)C(=O)\C=C/C(/C)=C/C=C/C(/C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C)CC\C=C(/C)CCC(C)(C)O InChI=1S/C40H58O3/c1-32(20-14-22-34(3)24-16-26-36(5)28-29-38(41)40(9,10)43-11)18-12-13-19-33(2)21-15-23-35(4)25-17-27-37(6)30-31-39(7,8)42/h12-16,18-24,26-29,42H,17,25,30-31H2,1-11H3/b13-12+,20-14+,21-15+,24-16+,29-28-,32-18+,33-19+,34-22+,35-23+,36-26+,37-27+ |
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| Synonyms | Not Available |
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| Chemical Formula | C40H58O3 |
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| Average Mass | 586.9010 Da |
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| Monoisotopic Mass | 586.43860 Da |
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| IUPAC Name | (4Z,6E,8E,10E,12E,14E,16E,18E,20E,22E,26E)-30-hydroxy-2-methoxy-2,6,10,14,19,23,27,30-octamethylhentriaconta-4,6,8,10,12,14,16,18,20,22,26-undecaen-3-one |
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| Traditional Name | (4Z,6E,8E,10E,12E,14E,16E,18E,20E,22E,26E)-30-hydroxy-2-methoxy-2,6,10,14,19,23,27,30-octamethylhentriaconta-4,6,8,10,12,14,16,18,20,22,26-undecaen-3-one |
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| CAS Registry Number | Not Available |
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| SMILES | COC(C)(C)C(=O)\C=C/C(/C)=C/C=C/C(/C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C)CC\C=C(/C)CCC(C)(C)O |
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| InChI Identifier | InChI=1S/C40H58O3/c1-32(20-14-22-34(3)24-16-26-36(5)28-29-38(41)40(9,10)43-11)18-12-13-19-33(2)21-15-23-35(4)25-17-27-37(6)30-31-39(7,8)42/h12-16,18-24,26-29,42H,17,25,30-31H2,1-11H3/b13-12+,20-14+,21-15+,24-16+,29-28-,32-18+,33-19+,34-22+,35-23+,36-26+,37-27+ |
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| InChI Key | PBYPKOZRPQGIPM-LUZWCZGFSA-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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