Record Information |
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Version | 2.0 |
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Created at | 2022-12-22 12:37:34 UTC |
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Updated at | 2024-09-03 04:15:18 UTC |
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NP-MRD ID | NP0331310 |
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Natural Product DOI | https://doi.org/10.57994/0219 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | (7Z,12Z,20Z,18S)-Variabilin |
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Description | (7Z,12Z,20Z,18S)-Variabilin was first documented in 2018 (PMID: 28888966). |
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Structure | C[C@@H](CCC\C(C)=C/CC\C(C)=C/CCC1=COC=C1)\C=C1/OC(=O)C(C)=C1O InChI=1S/C25H34O4/c1-18(8-5-9-19(2)11-7-13-22-14-15-28-17-22)10-6-12-20(3)16-23-24(26)21(4)25(27)29-23/h8,11,14-17,20,26H,5-7,9-10,12-13H2,1-4H3/b18-8-,19-11-,23-16-/t20-/m0/s1 |
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Synonyms | Not Available |
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Chemical Formula | C25H34O4 |
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Average Mass | 398.5430 Da |
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Monoisotopic Mass | 398.24571 Da |
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IUPAC Name | Not Available |
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Traditional Name | Not Available |
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CAS Registry Number | Not Available |
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SMILES | C[C@@H](CCC\C(C)=C/CC\C(C)=C/CCC1=COC=C1)\C=C1/OC(=O)C(C)=C1O |
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InChI Identifier | InChI=1S/C25H34O4/c1-18(8-5-9-19(2)11-7-13-22-14-15-28-17-22)10-6-12-20(3)16-23-24(26)21(4)25(27)29-23/h8,11,14-17,20,26H,5-7,9-10,12-13H2,1-4H3/b18-8-,19-11-,23-16-/t20-/m0/s1 |
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InChI Key | HPVSJNGZYYDDMU-YOYZJTELSA-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, CD3OD, experimental) | a.salim@uq.edu.au | Not Available | Not Available | 2024-05-13 | View Spectrum | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental) | a.salim@uq.edu.au | Not Available | Not Available | 2024-05-13 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, CD3OD, experimental) | a.salim@uq.edu.au | Not Available | Not Available | 2024-05-13 | View Spectrum | COSY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, CD3OD, experimental) | a.salim@uq.edu.au | Not Available | Not Available | 2024-05-13 | View Spectrum | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental) | a.salim@uq.edu.au | Not Available | Not Available | 2024-05-13 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, CD3OD, experimental) | a.salim@uq.edu.au | Not Available | Not Available | 2024-05-13 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 151 MHz, CD3OD, experimental) | a.salim@uq.edu.au | Not Available | Not Available | 2022-12-22 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, CD3OD, experimental) | a.salim@uq.edu.au | Not Available | Not Available | 2022-12-22 | View Spectrum | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental) | a.salim@uq.edu.au | Not Available | Not Available | 2022-12-22 | View Spectrum | COSY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, CD3OD, experimental) | a.salim@uq.edu.au | Not Available | Not Available | 2022-12-22 | View Spectrum | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental) | a.salim@uq.edu.au | Not Available | Not Available | 2022-12-22 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, CD3OD, experimental) | a.salim@uq.edu.au | Not Available | Not Available | 2022-12-22 | 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 | Species Name | Source | Reference |
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sp. (CMB-01018) | | |
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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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