Record Information |
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Version | 1.0 |
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Created at | 2021-01-05 19:40:25 UTC |
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Updated at | 2021-07-15 17:04:53 UTC |
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NP-MRD ID | NP0010011 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Chaetoviridin G |
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Provided By | NPAtlas |
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Description | Chaetoviridin G is found in Chaetomium globosum. It was first documented in 2011 (PMID: 21548578). Based on a literature review very few articles have been published on (6aS,9R,9aS)-5-chloro-6a-methyl-9-(2-methylbut-2-enoyl)-3-[(3S)-3-methylpent-1-en-1-yl]-6H,6aH,8H,9H,9aH-furo[2,3-h]isochromene-6,8-dione. |
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Structure | [H]\C(=C(\[H])[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])C1=C([H])C2=C(Cl)C(=O)[C@]3(OC(=O)[C@@]([H])(C(=O)C(=C(/[H])C([H])([H])[H])\C([H])([H])[H])[C@@]3([H])C2=C([H])O1)C([H])([H])[H] InChI=1S/C23H25ClO5/c1-6-12(3)8-9-14-10-15-16(11-28-14)18-17(20(25)13(4)7-2)22(27)29-23(18,5)21(26)19(15)24/h7-12,17-18H,6H2,1-5H3/b9-8+,13-7+/t12-,17+,18+,23-/m0/s1 |
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Synonyms | Not Available |
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Chemical Formula | C23H25ClO5 |
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Average Mass | 416.9000 Da |
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Monoisotopic Mass | 416.13905 Da |
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IUPAC Name | (6aS,9R,9aS)-5-chloro-6a-methyl-9-(2-methylbut-2-enoyl)-3-[(3S)-3-methylpent-1-en-1-yl]-6H,6aH,8H,9H,9aH-furo[2,3-h]isochromene-6,8-dione |
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Traditional Name | (6aS,9R,9aS)-5-chloro-6a-methyl-9-(2-methylbut-2-enoyl)-3-[(3S)-3-methylpent-1-en-1-yl]-9H,9aH-furo[2,3-h]isochromene-6,8-dione |
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CAS Registry Number | Not Available |
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SMILES | CC[C@H](C)C=CC1=CC2=C(Cl)C(=O)[C@@]3(C)OC(=O)[C@H]([C@H]3C2=CO1)C(=O)C(C)=CC |
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InChI Identifier | InChI=1S/C23H25ClO5/c1-6-12(3)8-9-14-10-15-16(11-28-14)18-17(20(25)13(4)7-2)22(27)29-23(18,5)21(26)19(15)24/h7-12,17-18H,6H2,1-5H3/t12-,17+,18+,23-/m0/s1 |
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InChI Key | GFTHCZMPYKVNIC-QUEZRSNOSA-N |
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Experimental Spectra |
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| Not Available | Predicted Spectra |
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| Spectrum Type | Description | Depositor ID | Depositor Organization | Depositor | Deposition Date | View |
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1D NMR | 13C NMR Spectrum (1D, 25 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 100 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 252 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 50 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 200 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 75 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 300 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 101 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 126 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 151 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 176 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 700 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 201 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 800 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 226 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 900 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum |
| Chemical Shift Submissions |
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| Not Available | Species |
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Species of Origin | |
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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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