Record Information |
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Version | 1.0 |
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Created at | 2024-05-09 00:46:05 UTC |
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Updated at | 2024-05-10 00:18:44 UTC |
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NP-MRD ID | NP0333103 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Talarolide D |
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Description | Not Available |
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Structure | CC[C@H](C)[C@H]1NC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@H](C)NC(=O)CN(O)C(=O)[C@H](CC2=CC=C(O)C=C2)N(C)C(=O)[C@H](C)NC(=O)[C@@H](C)NC1=O InChI=1S/C34H53N7O9/c1-10-19(4)28-31(46)36-20(5)29(44)37-22(7)33(48)40(9)26(16-23-11-13-24(42)14-12-23)34(49)41(50)17-27(43)35-21(6)32(47)39(8)25(15-18(2)3)30(45)38-28/h11-14,18-22,25-26,28,42,50H,10,15-17H2,1-9H3,(H,35,43)(H,36,46)(H,37,44)(H,38,45)/t19-,20+,21-,22-,25+,26-,28+/m0/s1 |
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Synonyms | Not Available |
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Chemical Formula | C34H53N7O9 |
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Average Mass | 703.8380 Da |
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Monoisotopic Mass | 703.39048 Da |
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IUPAC Name | (3S,6S,9R,12R,15R,18S)-12-[(2S)-butan-2-yl]-1-hydroxy-3-[(4-hydroxyphenyl)methyl]-4,6,9,16,18-pentamethyl-15-(2-methylpropyl)-1,4,7,10,13,16,19-heptaazacyclohenicosane-2,5,8,11,14,17,20-heptone |
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Traditional Name | (3S,6S,9R,12R,15R,18S)-12-[(2S)-butan-2-yl]-1-hydroxy-3-[(4-hydroxyphenyl)methyl]-4,6,9,16,18-pentamethyl-15-(2-methylpropyl)-1,4,7,10,13,16,19-heptaazacyclohenicosane-2,5,8,11,14,17,20-heptone |
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CAS Registry Number | Not Available |
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SMILES | CC[C@H](C)[C@H]1NC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@H](C)NC(=O)CN(O)C(=O)[C@H](CC2=CC=C(O)C=C2)N(C)C(=O)[C@H](C)NC(=O)[C@@H](C)NC1=O |
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InChI Identifier | InChI=1S/C34H53N7O9/c1-10-19(4)28-31(46)36-20(5)29(44)37-22(7)33(48)40(9)26(16-23-11-13-24(42)14-12-23)34(49)41(50)17-27(43)35-21(6)32(47)39(8)25(15-18(2)3)30(45)38-28/h11-14,18-22,25-26,28,42,50H,10,15-17H2,1-9H3,(H,35,43)(H,36,46)(H,37,44)(H,38,45)/t19-,20+,21-,22-,25+,26-,28+/m0/s1 |
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InChI Key | CZUNLDYACHQTNL-NPAITZMLSA-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, C2D6OS, experimental) | a.salim@uq.edu.au | Not Available | Not Available | 2024-05-09 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 151 MHz, C2D6OS, experimental) | a.salim@uq.edu.au | Not Available | Not Available | 2024-05-09 | View Spectrum | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental) | a.salim@uq.edu.au | Not Available | Not Available | 2024-05-09 | View Spectrum | COSY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental) | a.salim@uq.edu.au | Not Available | Not Available | 2024-05-09 | View Spectrum | ROESY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental) | a.salim@uq.edu.au | Not Available | Not Available | 2024-05-09 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, C2D6OS, experimental) | a.salim@uq.edu.au | Not Available | Not Available | 2024-05-09 | View Spectrum | TOCSY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental) | a.salim@uq.edu.au | Not Available | Not Available | 2024-05-09 | 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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