Record Information |
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Version | 1.0 |
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Created at | 2021-11-12 23:53:32 UTC |
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Updated at | 2021-11-26 17:46:06 UTC |
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NP-MRD ID | NP0044160 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Ganoboninketal F |
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Description | Ganoboninketal F belongs to the class of organic compounds known as carbocyclic fatty acids. These are fatty acids containing a carbocyclic ring. Ganoboninketal F is found in Ganoderma orbiforme. It was first documented in 2018 (Wei Li et al.). Based on a literature review very few articles have been published on Ganoboninketal F. |
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Structure | [H][C@]12CC[C@@]3(C)C4=C(C(=O)C[C@]13CO[C@@]1(CC)CC[C@]2(C)O1)[C@@](C)(CCC(O)=O)[C@@]([H])(CC4=O)C1(C)CO1 InChI=1S/C29H40O7/c1-6-29-12-11-26(4,36-29)19-7-10-25(3)23-17(30)13-20(27(5)15-34-27)24(2,9-8-21(32)33)22(23)18(31)14-28(19,25)16-35-29/h19-20H,6-16H2,1-5H3,(H,32,33)/t19-,20-,24+,25+,26+,27?,28+,29-/m1/s1 |
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Synonyms | Not Available |
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Chemical Formula | C29H40O7 |
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Average Mass | 500.6320 Da |
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Monoisotopic Mass | 500.27740 Da |
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IUPAC Name | 3-[(1S,2S,5R,9R,10S,14S,17R)-17-ethyl-1,5,10-trimethyl-9-(2-methyloxiran-2-yl)-7,12-dioxo-16,20-dioxapentacyclo[15.2.1.0^{2,14}.0^{5,14}.0^{6,11}]icos-6(11)-en-10-yl]propanoic acid |
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Traditional Name | 3-[(1S,2S,5R,9R,10S,14S,17R)-17-ethyl-1,5,10-trimethyl-9-(2-methyloxiran-2-yl)-7,12-dioxo-16,20-dioxapentacyclo[15.2.1.0^{2,14}.0^{5,14}.0^{6,11}]icos-6(11)-en-10-yl]propanoic acid |
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CAS Registry Number | Not Available |
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SMILES | [H][C@]12CC[C@@]3(C)C4=C(C(=O)C[C@]13CO[C@@]1(CC)CC[C@]2(C)O1)[C@@](C)(CCC(O)=O)[C@@]([H])(CC4=O)C1(C)CO1 |
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InChI Identifier | InChI=1S/C29H40O7/c1-6-29-12-11-26(4,36-29)19-7-10-25(3)23-17(30)13-20(27(5)15-34-27)24(2,9-8-21(32)33)22(23)18(31)14-28(19,25)16-35-29/h19-20H,6-16H2,1-5H3,(H,32,33)/t19-,20-,24+,25+,26+,27?,28+,29-/m1/s1 |
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InChI Key | JYNAFHGXISHKLU-LAGIPVKXSA-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, 50 MHz, Chloroform-d, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 150 MHz, Chloroform-d, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 250 MHz, Chloroform-d, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 175 MHz, Chloroform-d, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 75 MHz, Chloroform-d, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 100 MHz, Chloroform-d, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 225 MHz, Chloroform-d, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 200 MHz, Chloroform-d, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 125 MHz, Chloroform-d, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 25 MHz, Chloroform-d, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 300 MHz, Chloroform-d, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 900 MHz, Chloroform-d, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 700 MHz, Chloroform-d, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, Chloroform-d, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 100 MHz, Chloroform-d, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, Chloroform-d, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, Chloroform-d, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 800 MHz, Chloroform-d, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 200 MHz, Chloroform-d, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, Chloroform-d, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum |
| Predicted Spectra |
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| Not Available | 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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Description | Belongs to the class of organic compounds known as carbocyclic fatty acids. These are fatty acids containing a carbocyclic ring. |
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Kingdom | Organic compounds |
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Super Class | Lipids and lipid-like molecules |
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Class | Fatty Acyls |
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Sub Class | Fatty acids and conjugates |
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Direct Parent | Carbocyclic fatty acids |
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Alternative Parents | |
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Substituents | - Carbocyclic fatty acid
- Ketal
- Cyclohexenone
- Dioxepane
- 1,3-dioxepane
- Tetrahydrofuran
- Ketone
- Oxacycle
- Organoheterocyclic compound
- Monocarboxylic acid or derivatives
- Ether
- Oxirane
- Dialkyl ether
- Carboxylic acid
- Carboxylic acid derivative
- Acetal
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Carbonyl group
- 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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