Record Information |
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Version | 1.0 |
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Created at | 2023-01-12 04:13:37 UTC |
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Updated at | 2024-05-13 01:16:23 UTC |
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NP-MRD ID | NP0331435 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Noonindole D |
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Description | Not Available |
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Structure | [H][C@]12CC3=C(NC4=CC=CC=C34)[C@]1(C)[C@@]1(C)CC[C@]3([H])O[C@@]([H])(C(=O)C=C3[C@]1(O)[C@H](C2)OC(=O)[C@H](CC)N(C)C)C(C)(C)O InChI=1S/C33H44N2O6/c1-8-23(35(6)7)29(37)41-26-16-18-15-20-19-11-9-10-12-22(19)34-27(20)32(18,5)31(4)14-13-25-21(33(26,31)39)17-24(36)28(40-25)30(2,3)38/h9-12,17-18,23,25-26,28,34,38-39H,8,13-16H2,1-7H3/t18-,23+,25+,26+,28+,31-,32-,33+/m1/s1 |
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Synonyms | Not Available |
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Chemical Formula | C33H44N2O6 |
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Average Mass | 564.7230 Da |
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Monoisotopic Mass | 564.31994 Da |
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IUPAC Name | Not Available |
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Traditional Name | Not Available |
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CAS Registry Number | Not Available |
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SMILES | [H][C@]12CC3=C(NC4=CC=CC=C34)[C@]1(C)[C@@]1(C)CC[C@]3([H])O[C@@]([H])(C(=O)C=C3[C@]1(O)[C@H](C2)OC(=O)[C@H](CC)N(C)C)C(C)(C)O |
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InChI Identifier | InChI=1S/C33H44N2O6/c1-8-23(35(6)7)29(37)41-26-16-18-15-20-19-11-9-10-12-22(19)34-27(20)32(18,5)31(4)14-13-25-21(33(26,31)39)17-24(36)28(40-25)30(2,3)38/h9-12,17-18,23,25-26,28,34,38-39H,8,13-16H2,1-7H3/t18-,23+,25+,26+,28+,31-,32-,33+/m1/s1 |
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InChI Key | TYACATJVIPYUTO-YRVFGSFHSA-N |
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Experimental Spectra |
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| Spectrum Type | Description | Depositor Email | Depositor Organization | Depositor | Deposition Date | View |
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HSQC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental) | uqskanka@uq.edu.au | Not Available | Not Available | 2024-05-11 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, CD3OD, experimental) | uqskanka@uq.edu.au | Not Available | Not Available | 2024-05-11 | View Spectrum | COSY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, CD3OD, experimental) | uqskanka@uq.edu.au | Not Available | Not Available | 2024-05-11 | View Spectrum | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental) | uqskanka@uq.edu.au | Not Available | Not Available | 2024-05-11 | View Spectrum | ROESY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, CD3OD, experimental) | uqskanka@uq.edu.au | Not Available | Not Available | 2024-05-11 | View Spectrum | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental) | uqskanka@uq.edu.au | Not Available | Not Available | 2023-01-12 | View Spectrum | COSY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, CD3OD, experimental) | uqskanka@uq.edu.au | Not Available | Not Available | 2023-01-12 | View Spectrum | 1D NMR | [1H, ] NMR Spectrum (2D, 600 MHz, CD3OD, experimental) | uqskanka@uq.edu.au | Not Available | Not Available | 2023-01-12 | View Spectrum | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental) | uqskanka@uq.edu.au | Not Available | Not Available | 2023-01-12 | View Spectrum | ROESY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, CD3OD, experimental) | uqskanka@uq.edu.au | Not Available | Not Available | 2023-01-12 | View Spectrum |
| Predicted Spectra |
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| Not Available | 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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