| Record Information |
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| Version | 2.0 |
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| Created at | 2025-06-28 18:17:13 UTC |
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| Updated at | 2025-06-28 20:01:39 UTC |
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| NP-MRD ID | NP0351247 |
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| Natural Product DOI | https://doi.org/10.57994/4237 |
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| Secondary Accession Numbers | None |
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| Natural Product Identification |
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| Common Name | Norzoanbenzaldehyd |
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| Description | Norzoanbenzaldehyd was first documented in 2025 (PMID: 40490901). Based on a literature review very few articles have been published on Norzoanbenzaldehyd. |
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| Structure | [H][C@]12CC(=O)[C@@]3([H])[C@@](C)(C[C@]45NC6=C(C[C@@]4(C)[C@@]3(C)CC(=O)O5)C(C=O)=CC(C)=C6)[C@]1([H])CC(C)=CC2=O InChI=1S/C29H33NO5/c1-15-6-17(13-31)19-11-28(5)27(4)12-24(34)35-29(28,30-21(19)8-15)14-26(3)20-7-16(2)9-22(32)18(20)10-23(33)25(26)27/h6,8-9,13,18,20,25,30H,7,10-12,14H2,1-5H3/t18-,20+,25-,26-,27-,28-,29+/m0/s1 |
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| Synonyms | Not Available |
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| Chemical Formula | C29H33NO5 |
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| Average Mass | 475.5850 Da |
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| Monoisotopic Mass | 475.23587 Da |
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| IUPAC Name | (1R,3S,4R,9S,12S,13S,14S)-3,6,13,14,19-pentamethyl-8,11,24-trioxo-23-oxa-22-azahexacyclo[11.9.3.0^{1,14}.0^{3,12}.0^{4,9}.0^{16,21}]pentacosa-6,16(21),17,19-tetraene-17-carbaldehyde |
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| Traditional Name | (1R,3S,4R,9S,12S,13S,14S)-3,6,13,14,19-pentamethyl-8,11,24-trioxo-23-oxa-22-azahexacyclo[11.9.3.0^{1,14}.0^{3,12}.0^{4,9}.0^{16,21}]pentacosa-6,16(21),17,19-tetraene-17-carbaldehyde |
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| CAS Registry Number | Not Available |
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| SMILES | [H][C@]12CC(=O)[C@@]3([H])[C@@](C)(C[C@]45NC6=C(C[C@@]4(C)[C@@]3(C)CC(=O)O5)C(C=O)=CC(C)=C6)[C@]1([H])CC(C)=CC2=O |
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| InChI Identifier | InChI=1S/C29H33NO5/c1-15-6-17(13-31)19-11-28(5)27(4)12-24(34)35-29(28,30-21(19)8-15)14-26(3)20-7-16(2)9-22(32)18(20)10-23(33)25(26)27/h6,8-9,13,18,20,25,30H,7,10-12,14H2,1-5H3/t18-,20+,25-,26-,27-,28-,29+/m0/s1 |
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| InChI Key | KSNOXVKMEVKOSA-XNOOACCHSA-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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| 1D NMR | 13C NMR Spectrum (1D, 151 MHz, C5D5N, experimental) | kueihunglai@tmu.edu.tw | Taipei Medical University | Kuei-Hung Lai | 2025-06-25 | View Spectrum | | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, C5D5N, experimental) | kueihunglai@tmu.edu.tw | Taipei Medical University | Kuei-Hung Lai | 2025-06-25 | View Spectrum | | NOESY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, C5D5N, experimental) | kueihunglai@tmu.edu.tw | Taipei Medical University | Kuei-Hung Lai | 2025-06-25 | View Spectrum | | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, C5D5N, experimental) | kueihunglai@tmu.edu.tw | Taipei Medical University | Kuei-Hung Lai | 2025-06-25 | View Spectrum | | COSY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, C5D5N, experimental) | kueihunglai@tmu.edu.tw | Taipei Medical University | Kuei-Hung Lai | 2025-06-25 | View Spectrum | | 1D_DEPT NMR | 13C NMR Spectrum (1D, 151 MHz, C5D5N, experimental) | kueihunglai@tmu.edu.tw | Taipei Medical University | Kuei-Hung Lai | 2025-06-25 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, C5D5N, experimental) | kueihunglai@tmu.edu.tw | Taipei Medical University | Kuei-Hung Lai | 2025-06-25 | 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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| Zoanthus kuroshio | | |
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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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