Record Information |
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Version | 1.0 |
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Created at | 2022-09-05 20:05:09 UTC |
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Updated at | 2022-09-05 20:05:09 UTC |
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NP-MRD ID | NP0219173 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | (9r,10e,13s,18s,25r)-9-ethyl-4,25-dihydroxy-3,16-dimethyl-13-(2-methylpropyl)-14-oxa-20-azatetracyclo[16.6.1.0⁵,²⁴.0²¹,²⁵]pentacosa-1(24),2,4,10,16,21-hexaene-6,15,19,23-tetrone |
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Description | Not Available |
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Structure | CC[C@@H]1CCC(=O)C2=C(O)C(C)=CC3=C2C(=O)C=C2NC(=O)[C@@H](C=C(C)C(=O)O[C@@H](CC(C)C)C\C=C/1)[C@@]32O InChI=1S/C31H37NO7/c1-6-19-8-7-9-20(12-16(2)3)39-30(37)18(5)14-22-29(36)32-25-15-24(34)26-21(31(22,25)38)13-17(4)28(35)27(26)23(33)11-10-19/h7-8,13-16,19-20,22,35,38H,6,9-12H2,1-5H3,(H,32,36)/b8-7-,18-14?/t19-,20+,22+,31-/m0/s1 |
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Synonyms | Not Available |
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Chemical Formula | C31H37NO7 |
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Average Mass | 535.6370 Da |
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Monoisotopic Mass | 535.25700 Da |
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IUPAC Name | (9R,10E,13S,18S,25R)-9-ethyl-4,25-dihydroxy-3,16-dimethyl-13-(2-methylpropyl)-14-oxa-20-azatetracyclo[16.6.1.0^{5,24}.0^{21,25}]pentacosa-1(24),2,4,10,16,21-hexaene-6,15,19,23-tetrone |
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Traditional Name | (9R,10E,13S,18S,25R)-9-ethyl-4,25-dihydroxy-3,16-dimethyl-13-(2-methylpropyl)-14-oxa-20-azatetracyclo[16.6.1.0^{5,24}.0^{21,25}]pentacosa-1(24),2,4,10,16,21-hexaene-6,15,19,23-tetrone |
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CAS Registry Number | Not Available |
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SMILES | CC[C@@H]1CCC(=O)C2=C(O)C(C)=CC3=C2C(=O)C=C2NC(=O)[C@@H](C=C(C)C(=O)O[C@@H](CC(C)C)C\C=C/1)[C@@]32O |
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InChI Identifier | InChI=1S/C31H37NO7/c1-6-19-8-7-9-20(12-16(2)3)39-30(37)18(5)14-22-29(36)32-25-15-24(34)26-21(31(22,25)38)13-17(4)28(35)27(26)23(33)11-10-19/h7-8,13-16,19-20,22,35,38H,6,9-12H2,1-5H3,(H,32,36)/b8-7-,18-14?/t19-,20+,22+,31-/m0/s1 |
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InChI Key | XVZBBQXWAQFOEC-XIMPFXGSSA-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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