Record Information |
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Version | 1.0 |
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Created at | 2022-09-04 20:09:07 UTC |
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Updated at | 2022-09-04 20:09:07 UTC |
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NP-MRD ID | NP0201158 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | methyl 3-[(1r,5s,6r,10s,13s,14s)-5,10,14-trimethyl-6-[(2s)-2-methyloxiran-2-yl]-2,3,8-trioxo-14-(3-oxopentyl)-15-oxatetracyclo[8.6.0.0¹,¹³.0⁴,⁹]hexadec-4(9)-en-5-yl]propanoate |
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Description | Ganoboninone B belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid. methyl 3-[(1r,5s,6r,10s,13s,14s)-5,10,14-trimethyl-6-[(2s)-2-methyloxiran-2-yl]-2,3,8-trioxo-14-(3-oxopentyl)-15-oxatetracyclo[8.6.0.0¹,¹³.0⁴,⁹]hexadec-4(9)-en-5-yl]propanoate is found in Ganoderma boninense. It was first documented in 2022 (PMID: 36070841). Based on a literature review a significant number of articles have been published on Ganoboninone B (PMID: 36070826) (PMID: 36070791) (PMID: 36070773) (PMID: 36070707). |
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Structure | CCC(=O)CC[C@]1(C)OC[C@@]23[C@@H]1CC[C@@]2(C)C1=C(C(=O)C3=O)[C@@](C)(CCC(=O)OC)[C@@H](CC1=O)[C@@]1(C)CO1 InChI=1S/C30H40O8/c1-7-17(31)8-13-28(4)19-9-12-27(3)22-18(32)14-20(29(5)15-37-29)26(2,11-10-21(33)36-6)23(22)24(34)25(35)30(19,27)16-38-28/h19-20H,7-16H2,1-6H3/t19-,20-,26+,27+,28+,29-,30+/m1/s1 |
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Synonyms | Not Available |
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Chemical Formula | C30H40O8 |
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Average Mass | 528.6420 Da |
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Monoisotopic Mass | 528.27232 Da |
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IUPAC Name | methyl 3-[(1R,5S,6R,10S,13S,14S)-5,10,14-trimethyl-6-[(2S)-2-methyloxiran-2-yl]-2,3,8-trioxo-14-(3-oxopentyl)-15-oxatetracyclo[8.6.0.0^{1,13}.0^{4,9}]hexadec-4(9)-en-5-yl]propanoate |
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Traditional Name | methyl 3-[(1R,5S,6R,10S,13S,14S)-5,10,14-trimethyl-6-[(2S)-2-methyloxiran-2-yl]-2,3,8-trioxo-14-(3-oxopentyl)-15-oxatetracyclo[8.6.0.0^{1,13}.0^{4,9}]hexadec-4(9)-en-5-yl]propanoate |
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CAS Registry Number | Not Available |
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SMILES | CCC(=O)CC[C@]1(C)OC[C@@]23[C@@H]1CC[C@@]2(C)C1=C(C(=O)C3=O)[C@@](C)(CCC(=O)OC)[C@@H](CC1=O)[C@@]1(C)CO1 |
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InChI Identifier | InChI=1S/C30H40O8/c1-7-17(31)8-13-28(4)19-9-12-27(3)22-18(32)14-20(29(5)15-37-29)26(2,11-10-21(33)36-6)23(22)24(34)25(35)30(19,27)16-38-28/h19-20H,7-16H2,1-6H3/t19-,20-,26+,27+,28+,29-,30+/m1/s1 |
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InChI Key | RHYMEQIZAITVCZ-JTJVRMFXSA-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 | |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid. |
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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 acid esters |
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Direct Parent | Fatty acid esters |
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Alternative Parents | |
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Substituents | - Cyclohexenone
- Fatty acid ester
- Methyl ester
- Tetrahydrofuran
- Ketone
- Carboxylic acid ester
- Oxacycle
- Organoheterocyclic compound
- Monocarboxylic acid or derivatives
- Ether
- Oxirane
- Dialkyl ether
- Carboxylic acid derivative
- 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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General References | - Lokras A, Chakravarty A, Rades T, Christensen D, Franzyk H, Thakur A, Foged C: Simultaneous quantification of multiple RNA cargos co-loaded into nanoparticle-based delivery systems. Int J Pharm. 2022 Oct 15;626:122171. doi: 10.1016/j.ijpharm.2022.122171. Epub 2022 Sep 5. [PubMed:36070841 ]
- Grydziuszko E, Phelps A, Bruton K, Jordana M, Koenig JFE: Heterogeneity, subsets, and plasticity of T follicular helper cells in allergy. J Allergy Clin Immunol. 2022 Nov;150(5):990-998. doi: 10.1016/j.jaci.2022.08.023. Epub 2022 Sep 6. [PubMed:36070826 ]
- Zhang R, Niu J: Early identification of correlated risk factors can improve the prognosis of patients with postoperative intracranial infection. J Neurol Surg A Cent Eur Neurosurg. 2022 Sep 7. doi: 10.1055/a-1938-0202. [PubMed:36070791 ]
- Wang Y, Yi H, Wang J, Song Y: Early Surgery (Within 24 Hours) Benefits Patients Suffering from Acute Thoracolumbar Spinal Cord Injury: A Meta-analysis. Clin Spine Surg. 2022 Sep 2. doi: 10.1097/BSD.0000000000001385. [PubMed:36070773 ]
- Huang DQ, Lee DH, Le MH, Le A, Yeo YH, Trinh HN, Chung M, Nguyen V, Johnson T, Zhang JQ, Wong C, Wong C, Li J, Cheung R, Nguyen MH: Liver Complications in Untreated Treatment-Ineligible versus Treated Treatment-Eligible Patients with Hepatitis B. Dig Dis. 2023;41(1):115-123. doi: 10.1159/000526933. Epub 2022 Sep 7. [PubMed:36070707 ]
- LOTUS database [Link]
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