Record Information |
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Version | 2.0 |
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Created at | 2024-05-12 05:27:38 UTC |
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Updated at | 2024-09-03 04:21:30 UTC |
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NP-MRD ID | NP0333181 |
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Natural Product DOI | https://doi.org/10.57994/2506 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Acetoxytongalide B |
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Description | It was first documented in 2024 (PMID: 38734871). Based on a literature review a significant number of articles have been published on (1R)-1-[4-bromo-5-(bromomethyl)-5-hydroxy-2-oxofuran-3-yl]butyl acetate (PMID: 38734870) (PMID: 38734869) (PMID: 38734867) (PMID: 38734868). |
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Structure | CCC[C@@H](OC(C)=O)C1=C(Br)C(O)(CBr)OC1=O InChI=1S/C11H14Br2O5/c1-3-4-7(17-6(2)14)8-9(13)11(16,5-12)18-10(8)15/h7,16H,3-5H2,1-2H3/t7-,11?/m1/s1 |
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Synonyms | Value | Source |
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(1R)-1-[4-Bromo-5-(bromomethyl)-5-hydroxy-2-oxofuran-3-yl]butyl acetic acid | Generator |
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Chemical Formula | C11H14Br2O5 |
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Average Mass | 386.0360 Da |
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Monoisotopic Mass | 383.92080 Da |
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IUPAC Name | (1R)-1-[4-bromo-5-(bromomethyl)-5-hydroxy-2-oxo-2,5-dihydrofuran-3-yl]butyl acetate |
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Traditional Name | (1R)-1-[4-bromo-5-(bromomethyl)-5-hydroxy-2-oxofuran-3-yl]butyl acetate |
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CAS Registry Number | Not Available |
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SMILES | CCC[C@@H](OC(C)=O)C1=C(Br)C(O)(CBr)OC1=O |
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InChI Identifier | InChI=1S/C11H14Br2O5/c1-3-4-7(17-6(2)14)8-9(13)11(16,5-12)18-10(8)15/h7,16H,3-5H2,1-2H3/t7-,11?/m1/s1 |
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InChI Key | BYOVBSWJUBIXJV-DKSCNQEISA-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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| 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 | Species Name | Source | Reference |
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sp. | | |
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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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General References | - Grundler J, Whang CH, Shin K, Savan NA, Zhong M, Saltzman WM: Modifying the Backbone Chemistry of PEG-based Bottlebrush Block Copolymers for the Formation of Long-Circulating Nanoparticles. Adv Healthc Mater. 2024 May 11:e2304040. doi: 10.1002/adhm.202304040. [PubMed:38734871 ]
- Hebdon M, Pool N, Yee R, Herrera-Theut K, Yee E, Allen LA, Hasan A, Lindenfeld J, Calhoun E, Sweitzer NK, Welling A, Breathett K: Bias in team decision-making for advanced heart failure therapies: model application. J Interprof Care. 2024 May 11:1-10. doi: 10.1080/13561820.2024.2346934. [PubMed:38734870 ]
- Nakatani S, Kawano H, Sato M, Hoshino J, Nishio S, Miura K, Sekine A, Suwabe T, Hidaka S, Kataoka H, Ishikawa E, Shimazu K, Uchiyama K, Fujimaru T, Moriyama T, Kurashige M, Shimabukuro W, Hattanda F, Kimura T, Ushio Y, Manabe S, Watanabe H, Mitobe M, Seta K, Shimada Y, Kai H, Katayama K, Ichikawa D, Hayashi H, Hanaoka K, Mochizuki T, Nakanishi K, Tsuchiya K, Horie S, Isaka Y, Muto S: Protocol for the nationwide registry of patients with polycystic kidney disease: japanese national registry of PKD (JRP). Clin Exp Nephrol. 2024 May 11. doi: 10.1007/s10157-024-02509-3. [PubMed:38734869 ]
- Nguyen PTL, Phan TAT, Vo VBN, Ngo NTN, Nguyen HT, Phung TL, Kieu MTT, Nguyen TH, Duong KNC: Medication errors in emergency departments: a systematic review and meta-analysis of prevalence and severity. Int J Clin Pharm. 2024 May 11. doi: 10.1007/s11096-024-01742-w. [PubMed:38734867 ]
- Wang X, Wu L, Yu M, Wang H, He L, Hu Y, Li Z, Zheng Y, Peng B: Exploring the molecular mechanism of Epimedium for the treatment of ankylosing spondylitis based on network pharmacology, molecular docking, and molecular dynamics simulations. Mol Divers. 2024 May 11. doi: 10.1007/s11030-024-10877-x. [PubMed:38734868 ]
- Bracegirdle J, Kennedy SJ, Shan C, Wojtas L, Shaw LN, Amsler CD, McClintock JB, Baker BJ: Tongalides, Halogenated Butenolides from an Antarctic Delisea sp. Rhodophyte. J Nat Prod. 2022 Jul 22;85(7):1886-1891. doi: 10.1021/acs.jnatprod.2c00344. Epub 2022 Jun 30. [PubMed:35771948 ]
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