| Record Information |
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| Version | 2.0 |
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| Created at | 2024-08-26 14:45:16 UTC |
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| Updated at | 2025-06-11 03:35:55 UTC |
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| NP-MRD ID | NP0333757 |
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| Natural Product DOI | https://doi.org/10.57994/3236 |
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| Secondary Accession Numbers | None |
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| Natural Product Identification |
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| Common Name | chrysobrevione A |
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| Description | Based on a literature review very few articles have been published on chrysobrevione A. |
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| Structure | [H][C@@]12O[C@H]3O[C@H]4C=C(C)[C@]1(OC1=C2C(=O)OC(C)=C1C)[C@@]31CC[C@@]2([H])C(C)=CC(=O)C=C[C@]2(C)[C@@]41[H] InChI=1S/C27H28O6/c1-12-10-16(28)6-8-25(5)17(12)7-9-26-21(25)18-11-13(2)27(26)22(32-24(26)31-18)19-20(33-27)14(3)15(4)30-23(19)29/h6,8,10-11,17-18,21-22,24H,7,9H2,1-5H3/t17-,18?,21+,22-,24+,25-,26+,27+/m0/s1 |
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| Synonyms | Not Available |
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| Chemical Formula | C27H28O6 |
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| Average Mass | 448.5150 Da |
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| Monoisotopic Mass | 448.18859 Da |
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| IUPAC Name | (1R,3S,11S,14S,15R,16S,22S,25S)-7,8,12,16,21-pentamethyl-2,6,10,26-tetraoxaheptacyclo[12.11.1.0^{3,11}.0^{4,9}.0^{11,25}.0^{15,25}.0^{16,22}]hexacosa-4(9),7,12,17,20-pentaene-5,19-dione |
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| Traditional Name | (1R,3S,11S,14S,15R,16S,22S,25S)-7,8,12,16,21-pentamethyl-2,6,10,26-tetraoxaheptacyclo[12.11.1.0^{3,11}.0^{4,9}.0^{11,25}.0^{15,25}.0^{16,22}]hexacosa-4(9),7,12,17,20-pentaene-5,19-dione |
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| CAS Registry Number | Not Available |
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| SMILES | [H][C@@]12O[C@H]3O[C@H]4C=C(C)[C@]1(OC1=C2C(=O)OC(C)=C1C)[C@@]31CC[C@@]2([H])C(C)=CC(=O)C=C[C@]2(C)[C@@]41[H] |
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| InChI Identifier | InChI=1S/C27H28O6/c1-12-10-16(28)6-8-25(5)17(12)7-9-26-21(25)18-11-13(2)27(26)22(32-24(26)31-18)19-20(33-27)14(3)15(4)30-23(19)29/h6,8,10-11,17-18,21-22,24H,7,9H2,1-5H3/t17-,18?,21+,22-,24+,25-,26+,27+/m0/s1 |
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| InChI Key | ZXPDERUAYARUFL-MHEHQZSHSA-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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| NOESY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental) | niusiwen@tio.org.cn | Third Institute of Oceanography, Ministry of Natural Resources | Siwen Niu | 2024-08-26 | View Spectrum | | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental) | niusiwen@tio.org.cn | Third Institute of Oceanography, Ministry of Natural Resources | Siwen Niu | 2024-08-26 | View Spectrum | | COSY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental) | niusiwen@tio.org.cn | Third Institute of Oceanography, Ministry of Natural Resources | Siwen Niu | 2024-08-26 | View Spectrum | | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental) | niusiwen@tio.org.cn | Third Institute of Oceanography, Ministry of Natural Resources | Siwen Niu | 2024-08-26 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 151 MHz, CDCl3, experimental) | niusiwen@tio.org.cn | Third Institute of Oceanography, Ministry of Natural Resources | Siwen Niu | 2024-08-26 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, C2D6OS, experimental) | niusiwen@tio.org.cn | Third Institute of Oceanography, Ministry of Natural Resources | Siwen Niu | 2024-08-26 | View Spectrum |
| | Predicted Spectra |
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| | Spectrum Type | Description | Depositor ID | Depositor Organization | Depositor | Deposition Date | View |
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| | Chemical Shift Submissions |
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| Not Available | | Species |
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| Species of Origin | Not Available |
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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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