Record Information |
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Version | 1.0 |
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Created at | 2022-09-04 10:40:52 UTC |
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Updated at | 2022-09-04 10:40:52 UTC |
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NP-MRD ID | NP0193277 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | [(3r,5r)-3,5-dimethyl-5-[(2r,9e,11e)-2-methyl-12-phenyldodeca-9,11-dien-1-yl]-1,2-dioxolan-3-yl]acetic acid |
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Description | 2-[(3R,5R)-3,5-dimethyl-5-[(2R,9E,11E)-2-methyl-12-phenyldodeca-9,11-dien-1-yl]-1,2-dioxolan-3-yl]acetic acid belongs to the class of organic compounds known as styrenes. These are organic compounds containing an ethenylbenzene moiety. [(3r,5r)-3,5-dimethyl-5-[(2r,9e,11e)-2-methyl-12-phenyldodeca-9,11-dien-1-yl]-1,2-dioxolan-3-yl]acetic acid is found in Plakinastrella onkodes. It was first documented in 2022 (PMID: 36068077). Based on a literature review a significant number of articles have been published on 2-[(3R,5R)-3,5-dimethyl-5-[(2R,9E,11E)-2-methyl-12-phenyldodeca-9,11-dien-1-yl]-1,2-dioxolan-3-yl]acetic acid (PMID: 36068076) (PMID: 36068075) (PMID: 36068074) (PMID: 36068073). |
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Structure | C[C@H](CCCCCC\C=C\C=C\C1=CC=CC=C1)C[C@]1(C)C[C@](C)(CC(O)=O)OO1 InChI=1S/C26H38O4/c1-22(19-25(2)21-26(3,30-29-25)20-24(27)28)15-11-8-6-4-5-7-9-12-16-23-17-13-10-14-18-23/h7,9-10,12-14,16-18,22H,4-6,8,11,15,19-21H2,1-3H3,(H,27,28)/b9-7+,16-12+/t22-,25-,26+/m1/s1 |
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Synonyms | Value | Source |
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2-[(3R,5R)-3,5-Dimethyl-5-[(2R,9E,11E)-2-methyl-12-phenyldodeca-9,11-dien-1-yl]-1,2-dioxolan-3-yl]acetate | Generator |
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Chemical Formula | C26H38O4 |
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Average Mass | 414.5860 Da |
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Monoisotopic Mass | 414.27701 Da |
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IUPAC Name | 2-[(3R,5R)-3,5-dimethyl-5-[(2R,9E,11E)-2-methyl-12-phenyldodeca-9,11-dien-1-yl]-1,2-dioxolan-3-yl]acetic acid |
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Traditional Name | [(3R,5R)-3,5-dimethyl-5-[(2R,9E,11E)-2-methyl-12-phenyldodeca-9,11-dien-1-yl]-1,2-dioxolan-3-yl]acetic acid |
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CAS Registry Number | Not Available |
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SMILES | C[C@H](CCCCCC\C=C\C=C\C1=CC=CC=C1)C[C@]1(C)C[C@](C)(CC(O)=O)OO1 |
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InChI Identifier | InChI=1S/C26H38O4/c1-22(19-25(2)21-26(3,30-29-25)20-24(27)28)15-11-8-6-4-5-7-9-12-16-23-17-13-10-14-18-23/h7,9-10,12-14,16-18,22H,4-6,8,11,15,19-21H2,1-3H3,(H,27,28)/b9-7+,16-12+/t22-,25-,26+/m1/s1 |
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InChI Key | GBVSDTSXHOBZRG-RCYVJFRTSA-N |
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Experimental Spectra |
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| Not Available | 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 styrenes. These are organic compounds containing an ethenylbenzene moiety. |
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Kingdom | Organic compounds |
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Super Class | Benzenoids |
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Class | Benzene and substituted derivatives |
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Sub Class | Styrenes |
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Direct Parent | Styrenes |
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Alternative Parents | |
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Substituents | - Styrene
- Ortho-dioxolane
- Dialkyl peroxide
- Oxacycle
- Organoheterocyclic compound
- Monocarboxylic acid or derivatives
- Carboxylic acid
- Carboxylic acid derivative
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Carbonyl group
- Aromatic heteromonocyclic compound
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Molecular Framework | Aromatic heteromonocyclic 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 | - Kazawa K, Kubo T, Akishita M, Ishii S: Long-term impact of the COVID-19 pandemic on facility- and home-dwelling people with dementia: Perspectives from professionals involved in dementia care. Geriatr Gerontol Int. 2022 Sep 6. doi: 10.1111/ggi.14465. [PubMed:36068077 ]
- Arthur JD, Alamaw ED, Jampachairsri K, Sharp P, Nagamine CM, Huss MK, Pacharinsak C: Efficacy of 3 Buprenorphine Formulations for the Attenuation of Hypersensitivity after Plantar Incision in Immunodeficient NSG Mice. J Am Assoc Lab Anim Sci. 2022 Sep 6. doi: 10.30802/AALAS-JAALAS-22-000058. [PubMed:36068076 ]
- Zhu N, Liu J, Ma T, Zhang Y, Lin Y: Fully digital versus conventional workflow for horizontal ridge augmentation with intraoral block bone: A randomized controlled clinical trial. Clin Implant Dent Relat Res. 2022 Sep 6. doi: 10.1111/cid.13129. [PubMed:36068075 ]
- Gerstle EE, O'Connor K, Keenan KG, Slavens BA, Cobb SC: The Effect of Age and Fall History on Lower Extremity Neuromuscular Function During Descent of a Single Transition Step. J Aging Phys Act. 2022 Sep 5:1-8. doi: 10.1123/japa.2021-0521. [PubMed:36068074 ]
- Chipperfield SR, Bissell P: "I Hear the Music and My Spirits Lift!" Pleasure and Ballroom Dancing for Community-Dwelling Older Adults. J Aging Phys Act. 2022 Sep 5:1-13. doi: 10.1123/japa.2021-0332. [PubMed:36068073 ]
- LOTUS database [Link]
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