Record Information |
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Version | 1.0 |
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Created at | 2022-09-07 06:13:35 UTC |
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Updated at | 2022-09-07 06:13:36 UTC |
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NP-MRD ID | NP0245222 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | (3e,5e,7e,9e,11e,13e,15e,17e)-10,14,18,22-tetramethyl-5-[(1e,3e,5e,7e)-4,8,12-trimethyltrideca-1,3,5,7,11-pentaen-1-yl]tricosa-3,5,7,9,11,13,15,17,21-nonaen-2-one |
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Description | (3e,5e,7e,9e,11e,13e,15e,17e)-10,14,18,22-tetramethyl-5-[(1e,3e,5e,7e)-4,8,12-trimethyltrideca-1,3,5,7,11-pentaen-1-yl]tricosa-3,5,7,9,11,13,15,17,21-nonaen-2-one is found in Blastochloris viridis. |
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Structure | CC(C)=CCC\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=C(\C)CCC=C(C)C)\C=C\C(C)=O InChI=1S/C43H58O/c1-35(2)19-13-22-38(6)25-16-28-40(8)27-15-24-37(5)21-11-12-31-43(34-33-42(10)44)32-18-30-41(9)29-17-26-39(7)23-14-20-36(3)4/h11-12,15-21,24-34H,13-14,22-23H2,1-10H3/b12-11+,24-15+,28-16+,29-17+,32-18+,34-33+,37-21+,38-25+,39-26+,40-27+,41-30+,43-31+ |
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Synonyms | Not Available |
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Chemical Formula | C43H58O |
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Average Mass | 590.9360 Da |
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Monoisotopic Mass | 590.44877 Da |
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IUPAC Name | (3E,5E,7E,9E,11E,13E,15E,17E)-10,14,18,22-tetramethyl-5-[(1E,3E,5E,7E)-4,8,12-trimethyltrideca-1,3,5,7,11-pentaen-1-yl]tricosa-3,5,7,9,11,13,15,17,21-nonaen-2-one |
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Traditional Name | (3E,5E,7E,9E,11E,13E,15E,17E)-10,14,18,22-tetramethyl-5-[(1E,3E,5E,7E)-4,8,12-trimethyltrideca-1,3,5,7,11-pentaen-1-yl]tricosa-3,5,7,9,11,13,15,17,21-nonaen-2-one |
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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=C\C(\C)=C\C=C\C=C(/C=C/C=C(\C)/C=C/C=C(\C)CCC=C(C)C)\C=C\C(C)=O |
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InChI Identifier | InChI=1S/C43H58O/c1-35(2)19-13-22-38(6)25-16-28-40(8)27-15-24-37(5)21-11-12-31-43(34-33-42(10)44)32-18-30-41(9)29-17-26-39(7)23-14-20-36(3)4/h11-12,15-21,24-34H,13-14,22-23H2,1-10H3/b12-11+,24-15+,28-16+,29-17+,32-18+,34-33+,37-21+,38-25+,39-26+,40-27+,41-30+,43-31+ |
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InChI Key | ZEESPELXEUNUOM-BSCVPUEUSA-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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