| Record Information |
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| Version | 2.0 |
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| Created at | 2022-09-04 05:48:37 UTC |
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| Updated at | 2022-09-04 05:48:37 UTC |
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| NP-MRD ID | NP0189339 |
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| Secondary Accession Numbers | None |
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| Natural Product Identification |
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| Common Name | (10z)-7,11,14,15-tetramethyl-3,6-dioxatetracyclo[12.4.0.0⁴,¹⁸.0⁵,⁷]octadeca-1(18),10-dien-4-ol |
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| Description | Phomactin G belongs to the class of organic compounds known as dihydrofurans. Dihydrofurans are compounds containing a dihydrofuran moiety, which is a furan derivative with only one double bond. (10z)-7,11,14,15-tetramethyl-3,6-dioxatetracyclo[12.4.0.0⁴,¹⁸.0⁵,⁷]octadeca-1(18),10-dien-4-ol was first documented in 2004 (PMID: 14770224). Based on a literature review very few articles have been published on Phomactin G. |
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| Structure | CC1CCC2=C3COC2(O)C2OC2(C)CC\C=C(C)/CCC13C InChI=1S/C20H30O3/c1-13-6-5-10-19(4)17(23-19)20(21)15-8-7-14(2)18(3,11-9-13)16(15)12-22-20/h6,14,17,21H,5,7-12H2,1-4H3/b13-6- |
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| Synonyms | Not Available |
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| Chemical Formula | C20H30O3 |
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| Average Mass | 318.4570 Da |
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| Monoisotopic Mass | 318.21949 Da |
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| IUPAC Name | (10Z)-7,11,14,15-tetramethyl-3,6-dioxatetracyclo[12.4.0.0^{4,18}.0^{5,7}]octadeca-1(18),10-dien-4-ol |
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| Traditional Name | (10Z)-7,11,14,15-tetramethyl-3,6-dioxatetracyclo[12.4.0.0^{4,18}.0^{5,7}]octadeca-1(18),10-dien-4-ol |
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| CAS Registry Number | Not Available |
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| SMILES | CC1CCC2=C3COC2(O)C2OC2(C)CC\C=C(C)/CCC13C |
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| InChI Identifier | InChI=1S/C20H30O3/c1-13-6-5-10-19(4)17(23-19)20(21)15-8-7-14(2)18(3,11-9-13)16(15)12-22-20/h6,14,17,21H,5,7-12H2,1-4H3/b13-6- |
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| InChI Key | OGWUAOXLICPHRC-MLPAPPSSSA-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, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 100 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 252 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 50 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 200 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 75 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 300 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 101 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 126 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 151 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 176 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 700 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 201 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 800 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 226 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 900 MHz, H2O, 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 | Not Available |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as dihydrofurans. Dihydrofurans are compounds containing a dihydrofuran moiety, which is a furan derivative with only one double bond. |
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| Kingdom | Organic compounds |
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| Super Class | Organoheterocyclic compounds |
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| Class | Dihydrofurans |
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| Sub Class | Not Available |
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| Direct Parent | Dihydrofurans |
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| Alternative Parents | |
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| Substituents | - Dihydrofuran
- Hemiacetal
- Oxacycle
- Ether
- Oxirane
- Dialkyl ether
- Organic oxygen compound
- Hydrocarbon derivative
- Organooxygen compound
- Aliphatic heteropolycyclic compound
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| Molecular Framework | Aliphatic heteropolycyclic compounds |
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| External Descriptors | Not Available |
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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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