Record Information |
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Version | 2.0 |
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Created at | 2023-02-08 04:02:10 UTC |
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Updated at | 2024-09-03 04:15:56 UTC |
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NP-MRD ID | NP0331500 |
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Natural Product DOI | https://doi.org/10.57994/0460 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Weizhouochrone A |
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Description | Weizhouochrone A was first documented in 2022 (PMID: 35792821). Based on a literature review very few articles have been published on Weizhouochrone A. |
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Structure | [H][C@@]12C(=O)C3=C(C=C(C=C3C)C(C)C)[C@]1(C)[C@@]1(C)C3=C(C(=O)[C@@]21[H])C(C)=CC(=C3)C(C)C InChI=1S/C28H32O2/c1-13(2)17-9-15(5)21-19(11-17)27(7)23(25(21)29)24-26(30)22-16(6)10-18(14(3)4)12-20(22)28(24,27)8/h9-14,23-24H,1-8H3/t23-,24-,27+,28+/m1/s1 |
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Synonyms | Not Available |
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Chemical Formula | C28H32O2 |
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Average Mass | 400.5620 Da |
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Monoisotopic Mass | 400.24023 Da |
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IUPAC Name | (1R,2R,10S,11S)-1,2,7,14-tetramethyl-5,16-bis(propan-2-yl)pentacyclo[9.7.0.0^{2,10}.0^{3,8}.0^{13,18}]octadeca-3(8),4,6,13(18),14,16-hexaene-9,12-dione |
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Traditional Name | (1R,2R,10S,11S)-5,16-diisopropyl-1,2,7,14-tetramethylpentacyclo[9.7.0.0^{2,10}.0^{3,8}.0^{13,18}]octadeca-3(8),4,6,13(18),14,16-hexaene-9,12-dione |
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CAS Registry Number | Not Available |
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SMILES | [H][C@@]12C(=O)C3=C(C=C(C=C3C)C(C)C)[C@]1(C)[C@@]1(C)C3=C(C(=O)[C@@]21[H])C(C)=CC(=C3)C(C)C |
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InChI Identifier | InChI=1S/C28H32O2/c1-13(2)17-9-15(5)21-19(11-17)27(7)23(25(21)29)24-26(30)22-16(6)10-18(14(3)4)12-20(22)28(24,27)8/h9-14,23-24H,1-8H3/t23-,24-,27+,28+/m1/s1 |
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InChI Key | XYIDJOORLVFHFG-ZBVBGGFBSA-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, CD3OD, experimental) | xli@fmp-berlin.de | Not Available | Not Available | 2024-05-12 | View Spectrum | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental) | xli@fmp-berlin.de | Not Available | Not Available | 2024-05-12 | View Spectrum | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental) | xli@fmp-berlin.de | Not Available | Not Available | 2024-05-12 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, CD3OD, experimental) | xli@fmp-berlin.de | Not Available | Not Available | 2024-05-12 | View Spectrum | COSY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, CD3OD, experimental) | xli@fmp-berlin.de | Not Available | Not Available | 2024-05-12 | View Spectrum | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental) | xli@fmp-berlin.de | Not Available | Not Available | 2024-05-12 | View Spectrum | 1D NMR | 2H NMR Spectrum (1D, 92 MHz, CD3OD, experimental) | xli@fmp-berlin.de | Not Available | Not Available | 2024-05-12 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 151 MHz, CD3OD, experimental) | xli@fmp-berlin.de | Not Available | Not Available | 2024-05-12 | View Spectrum | 1D_DEPT NMR | 13C NMR Spectrum (1D, 126 MHz, CD3OD, experimental) | xli@fmp-berlin.de | Not Available | Not Available | 2024-05-12 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 151 MHz, CD3OD, experimental) | xli@fmp-berlin.de | Not Available | Not Available | 2024-05-12 | 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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| Spectrum Type | Description | Depositor Email | Depositor Organization | Depositor | Deposition Date | View |
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1D NMR | 1H NMR Spectrum (1D, simulated) | Not Available | Not Available | Not Available | 2024-05-12 | View Spectrum |
| Species |
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Species of Origin | Species Name | Source | Reference |
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ochracea | | |
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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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