Record Information |
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Version | 2.0 |
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Created at | 2024-03-11 22:36:04 UTC |
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Updated at | 2024-11-01 01:37:58 UTC |
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NP-MRD ID | NP0332608 |
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Natural Product DOI | https://doi.org/10.57994/1868 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Noducyclamide A1 |
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Description | Noducyclamide A1 was first documented in 2024 (PMID: 38587271). Based on a literature review very few articles have been published on Noducyclamide A1. |
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Structure | CCCCC=CCCCCCCCCCCCCCCCCCCCCCC=CCCCCC=CCCCCCCCCCCCCCCCCCCCCCC=C InChI=1S/C58H110/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3,10,12,47,49,56,58H,1,4-9,11,13-46,48,50-55,57H2,2H3 |
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Synonyms | Not Available |
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Chemical Formula | C58H93N11O15 |
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Average Mass | 1184.4440 Da |
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Monoisotopic Mass | 1183.68526 Da |
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IUPAC Name | octapentaconta-1,24,30,53-tetraene |
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Traditional Name | octapentaconta-1,24,30,53-tetraene |
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CAS Registry Number | Not Available |
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SMILES | CCCCCCC[C@@H]1CC(=O)N[C@@H](CCC(N)=O)C(=O)N2C[C@H](O)C[C@H]2C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](CC2=CC=C(O)C=C2)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N1)C(C)(C)O |
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InChI Identifier | InChI=1S/C58H93N11O15/c1-10-11-12-13-14-15-35-25-46(74)62-39(20-21-45(59)73)56(82)69-30-38(72)27-44(69)57(83)68-29-37(71)26-43(68)53(79)64-42(24-34-16-18-36(70)19-17-34)51(77)63-41(23-32(4)5)52(78)66-48(33(6)7)54(80)67-49(58(8,9)84)55(81)65-40(22-31(2)3)50(76)60-28-47(75)61-35/h16-19,31-33,35,37-44,48-49,70-72,84H,10-15,20-30H2,1-9H3,(H2,59,73)(H,60,76)(H,61,75)(H,62,74)(H,63,77)(H,64,79)(H,65,81)(H,66,78)(H,67,80)/t35-,37-,38-,39+,40?,41-,42?,43+,44+,48?,49+/m1/s1 |
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InChI Key | CJLCTYBXYUQFER-ZQMOVNBLSA-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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HMBC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental) | chinsoon@osi.lv | Latvian Institute of Organic synthesis | Chin-Soon Phan | 2024-08-26 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, C2D6OS, experimental) | chinsoon@osi.lv | Latvian Institute of Organic synthesis | Chin-Soon Phan | 2024-08-26 | View Spectrum | ROESY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental) | chinsoon@osi.lv | Latvian Institute of Organic synthesis | Chin-Soon Phan | 2024-08-26 | View Spectrum | COSY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental) | chinsoon@osi.lv | Latvian Institute of Organic synthesis | Chin-Soon Phan | 2024-08-26 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 151 MHz, C2D6OS, experimental) | chinsoon@osi.lv | Latvian Institute of Organic synthesis | Chin-Soon Phan | 2024-08-26 | View Spectrum | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental) | chinsoon@osi.lv | Latvian Institute of Organic synthesis | Chin-Soon Phan | 2024-08-26 | View Spectrum | TOCSY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental) | chinsoon@osi.lv | Latvian Institute of Organic synthesis | Chin-Soon Phan | 2024-08-26 | View Spectrum | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 151 MHz, C2D6OS, experimental) | chinsoon@osi.lv | Latvian Institute of Organic synthesis | Chin-Soon Phan | 2024-03-11 | 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 | Species Name | Source | Reference |
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sp. NIES-3585 | | |
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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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