| Record Information |
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| Version | 2.0 |
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| Created at | 2025-04-11 22:05:40 UTC |
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| Updated at | 2025-07-24 18:35:17 UTC |
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| NP-MRD ID | NP0350933 |
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| Natural Product DOI | https://doi.org/10.57994/3918 |
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| Secondary Accession Numbers | None |
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| Natural Product Identification |
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| Common Name | Colachalasin C |
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| Description | Based on a literature review very few articles have been published on Colachalasin C. |
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| Structure | [H][C@]12[C@H](CC3=CC=CC=C3)NC(=O)[C@]11OC(=O)C[C@H]3O[C@]3(C)C(=O)[C@@H](C)C\C=C\[C@@]1([H])[C@@H]1O[C@]1(C)[C@H]2C InChI=1S/C28H33NO6/c1-15-9-8-12-18-24-26(3,35-24)16(2)22-19(13-17-10-6-5-7-11-17)29-25(32)28(18,22)34-21(30)14-20-27(4,33-20)23(15)31/h5-8,10-12,15-16,18-20,22,24H,9,13-14H2,1-4H3,(H,29,32)/b12-8+/t15-,16-,18-,19-,20+,22-,24-,26+,27-,28+/m0/s1 |
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| Synonyms | Not Available |
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| Chemical Formula | C28H33NO6 |
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| Average Mass | 479.5730 Da |
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| Monoisotopic Mass | 479.23079 Da |
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| IUPAC Name | (1S,5R,7S,9S,11E,13S,14S,16R,17S,18S,19S)-19-benzyl-7,9,16,17-tetramethyl-2,6,15-trioxa-20-azapentacyclo[11.8.0.0^{1,18}.0^{5,7}.0^{14,16}]henicos-11-ene-3,8,21-trione |
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| Traditional Name | (1S,5R,7S,9S,11E,13S,14S,16R,17S,18S,19S)-19-benzyl-7,9,16,17-tetramethyl-2,6,15-trioxa-20-azapentacyclo[11.8.0.0^{1,18}.0^{5,7}.0^{14,16}]henicos-11-ene-3,8,21-trione |
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| CAS Registry Number | Not Available |
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| SMILES | [H][C@]12[C@H](CC3=CC=CC=C3)NC(=O)[C@]11OC(=O)C[C@H]3O[C@]3(C)C(=O)[C@@H](C)C\C=C\[C@@]1([H])[C@@H]1O[C@]1(C)[C@H]2C |
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| InChI Identifier | InChI=1S/C28H33NO6/c1-15-9-8-12-18-24-26(3,35-24)16(2)22-19(13-17-10-6-5-7-11-17)29-25(32)28(18,22)34-21(30)14-20-27(4,33-20)23(15)31/h5-8,10-12,15-16,18-20,22,24H,9,13-14H2,1-4H3,(H,29,32)/b12-8+/t15-,16-,18-,19-,20+,22-,24-,26+,27-,28+/m0/s1 |
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| InChI Key | OGBQXCPAFMHKEF-AJHBRBONSA-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, 500 MHz, CDCl3, experimental) | 1050955308@qq.com | ocean university of china | lk | 2025-04-11 | View Spectrum | | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 500 MHz, CDCl3, experimental) | 1050955308@qq.com | ocean university of china | lk | 2025-04-11 | View Spectrum | | NOESY NMR | [1H, 1H] NMR Spectrum (2D, 500 MHz, CDCl3, experimental) | 1050955308@qq.com | ocean university of china | lk | 2025-04-11 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, CDCl3, experimental) | 1050955308@qq.com | ocean university of china | lk | 2025-04-11 | View Spectrum | | COSY NMR | [1H, 1H] NMR Spectrum (2D, 500 MHz, CDCl3, experimental) | 1050955308@qq.com | ocean university of china | lk | 2025-04-11 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 126 MHz, CDCl3, experimental) | 1050955308@qq.com | ocean university of china | lk | 2025-04-11 | 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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| aspergillus templicola | | |
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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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