Record Information |
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Version | 1.0 |
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Created at | 2023-10-13 12:14:23 UTC |
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Updated at | 2024-05-09 14:00:53 UTC |
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NP-MRD ID | NP0331969 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Eremolatane J1 |
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Description | It was first documented in 2023 (PMID: 37995131). Based on a literature review a significant number of articles have been published on (5R,8S)-8-[(2S)-5,6-dihydroxy-6-methylheptan-2-yl]-4-hydroxy-5-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid (PMID: 37995130) (PMID: 37995129) (PMID: 37995128) (PMID: 37995127). |
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Structure | [H][C@](C)(CCC(O)C(C)(C)O)[C@]1([H])CC[C@@H](C)C2=C1C=C(C=C2O)C(O)=O InChI=1S/C20H30O5/c1-11(6-8-17(22)20(3,4)25)14-7-5-12(2)18-15(14)9-13(19(23)24)10-16(18)21/h9-12,14,17,21-22,25H,5-8H2,1-4H3,(H,23,24)/t11-,12+,14-,17?/m0/s1 |
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Synonyms | Value | Source |
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(5R,8S)-8-[(2S)-5,6-Dihydroxy-6-methylheptan-2-yl]-4-hydroxy-5-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxylate | Generator |
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Chemical Formula | C20H30O5 |
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Average Mass | 350.4550 Da |
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Monoisotopic Mass | 350.20932 Da |
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IUPAC Name | (5R,8S)-8-[(2S)-5,6-dihydroxy-6-methylheptan-2-yl]-4-hydroxy-5-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid |
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Traditional Name | (5R,8S)-8-[(2S)-5,6-dihydroxy-6-methylheptan-2-yl]-4-hydroxy-5-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid |
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CAS Registry Number | Not Available |
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SMILES | [H][C@](C)(CCC(O)C(C)(C)O)[C@]1([H])CC[C@@H](C)C2=C1C=C(C=C2O)C(O)=O |
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InChI Identifier | InChI=1S/C20H30O5/c1-11(6-8-17(22)20(3,4)25)14-7-5-12(2)18-15(14)9-13(19(23)24)10-16(18)21/h9-12,14,17,21-22,25H,5-8H2,1-4H3,(H,23,24)/t11-,12+,14-,17?/m0/s1 |
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InChI Key | VODICXPZWAGZPJ-IQOPXXIESA-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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ROESY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, CD3OD, experimental) | zhaoyong1990224@gmail.com | Not Available | Not Available | 2023-10-13 | View Spectrum | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental) | zhaoyong1990224@gmail.com | Not Available | Not Available | 2023-10-13 | View Spectrum | COSY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, CD3OD, experimental) | zhaoyong1990224@gmail.com | Not Available | Not Available | 2023-10-13 | View Spectrum | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental) | zhaoyong1990224@gmail.com | Not Available | Not Available | 2023-10-13 | View Spectrum | 1D NMR | [1H, ] NMR Spectrum (2D, 600 MHz, CD3OD, experimental) | zhaoyong1990224@gmail.com | Not Available | Not Available | 2023-10-13 | 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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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 | - Maes I, Mertens L, Poppe L, Vetrovsky T, Crombez G, De Backere F, Brondeel R, Van Dyck D: Within-Person Associations of Accelerometer-Assessed Physical Activity With Time-Varying Determinants in Older Adults: Time-Based Ecological Momentary Assessment Study. JMIR Aging. 2023 Nov 23;6:e44425. doi: 10.2196/44425. [PubMed:37995131 ]
- Ashkenazi T, Cohen J: Posttraumatic growth among participating and non-participating organ donor families in grief support groups. Death Stud. 2023 Nov 23:1-8. doi: 10.1080/07481187.2023.2285933. [PubMed:37995130 ]
- Orchowski LM, Merrill JE, Oesterle DW, Barnett NP, Borsari B, Zlotnick C, Haikalis MP, Bekowitz AD: Integrated Alcohol Use and Sexual Assault Prevention Program for College Men Who Engage in Heavy Drinking: Randomized Pilot Study. JMIR Form Res. 2023 Nov 23;7:e47354. doi: 10.2196/47354. [PubMed:37995129 ]
- Quintal A, Carreau I, Grenier AD, Hebert C, Yergeau C, Berthiaume Y, Racine E: An Ethics Action Plan for Rare Disease Care: Participatory Action Research Approach. J Particip Med. 2023 Nov 23;15:e46607. doi: 10.2196/46607. [PubMed:37995128 ]
- Braund H, Dalgarno N, Chan-Nguyen S, Digby G, Haji F, O'Riordan A, Appireddy R: Exploring Patient Advisors' Perceptions of Virtual Care Across Canada: Qualitative Phenomenological Study. J Med Internet Res. 2023 Nov 23;25:e45215. doi: 10.2196/45215. [PubMed:37995127 ]
- Zhao Y, Li T, Kjaerulff L, Venter H, Coriani S, Moller BL, Semple S, Staerk D: Orthogonal Reversed-Phase C(18) and Pentafluorophenyl HPLC Separation for Phytochemical Profiling of Serrulatanes in Eremophila denticulata. J Nat Prod. 2023 Dec 22;86(12):2638-2650. doi: 10.1021/acs.jnatprod.3c00655. Epub 2023 Nov 27. [PubMed:38013449 ]
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