Record Information |
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Version | 1.0 |
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Created at | 2022-04-28 20:08:26 UTC |
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Updated at | 2022-04-28 20:08:26 UTC |
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NP-MRD ID | NP0074813 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | (+)-(9R*,13S*)-Dihydroxy-8(17),14-labdadiene |
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Description | (9R,13S)-Labda-8(20),14-diene-9,13-diol belongs to the class of organic compounds known as diterpenoids. These are terpene compounds formed by four isoprene units. (+)-(9R*,13S*)-Dihydroxy-8(17),14-labdadiene is found in Jungermannia truncata. It was first documented in 2022 (PMID: 35489815). Based on a literature review a significant number of articles have been published on (9R,13S)-Labda-8(20),14-diene-9,13-diol (PMID: 35489814) (PMID: 35489813) (PMID: 35489812) (PMID: 35489811) (PMID: 35489810) (PMID: 35489809). |
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Structure | C[C@](O)(CC[C@@]1(O)C(=C)CC[C@H]2C(C)(C)CCC[C@]12C)C=C InChI=1S/C20H34O2/c1-7-18(5,21)13-14-20(22)15(2)9-10-16-17(3,4)11-8-12-19(16,20)6/h7,16,21-22H,1-2,8-14H2,3-6H3/t16-,18+,19-,20+/m0/s1 |
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Synonyms | Not Available |
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Chemical Formula | C20H34O2 |
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Average Mass | 306.4900 Da |
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Monoisotopic Mass | 306.25588 Da |
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IUPAC Name | (1R,4aS,8aS)-1-[(3S)-3-hydroxy-3-methylpent-4-en-1-yl]-5,5,8a-trimethyl-2-methylidene-decahydronaphthalen-1-ol |
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Traditional Name | (1R,4aS,8aS)-1-[(3S)-3-hydroxy-3-methylpent-4-en-1-yl]-5,5,8a-trimethyl-2-methylidene-hexahydronaphthalen-1-ol |
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CAS Registry Number | Not Available |
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SMILES | C[C@](O)(CC[C@@]1(O)C(=C)CC[C@H]2C(C)(C)CCC[C@]12C)C=C |
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InChI Identifier | InChI=1S/C20H34O2/c1-7-18(5,21)13-14-20(22)15(2)9-10-16-17(3,4)11-8-12-19(16,20)6/h7,16,21-22H,1-2,8-14H2,3-6H3/t16-,18+,19-,20+/m0/s1 |
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InChI Key | MDXMTLDJBBCSFD-OJAHFUOMSA-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, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 100 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 252 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 50 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 200 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 75 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 300 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 101 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 126 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 151 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 176 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 700 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 201 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 800 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 226 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 900 MHz, D2O, 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 diterpenoids. These are terpene compounds formed by four isoprene units. |
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Kingdom | Organic compounds |
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Super Class | Lipids and lipid-like molecules |
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Class | Prenol lipids |
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Sub Class | Diterpenoids |
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Direct Parent | Diterpenoids |
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Alternative Parents | |
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Substituents | - Diterpenoid
- Labdane diterpenoid
- Tertiary alcohol
- Cyclic alcohol
- Organic oxygen compound
- Hydrocarbon derivative
- Organooxygen compound
- Alcohol
- Aliphatic homopolycyclic compound
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Molecular Framework | Aliphatic homopolycyclic 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 | - Chen Z, Ye X, Zhang Z, Zhao Q, Xiang Y, Xu N, Wang Q, Pan Y, Guo X, Wang Z: Genetic diversity and selection signatures of four indigenous pig breeds from eastern China. Anim Genet. 2022 Apr 30. doi: 10.1111/age.13208. [PubMed:35489815 ]
- Wu A, Fahey MT, Cui D, El-Behesy B, Story DA: An evaluation of the outcome metric 'days alive and at home' in older patients after hip fracture surgery. Anaesthesia. 2022 Apr 30. doi: 10.1111/anae.15742. [PubMed:35489814 ]
- Martinez-Pizarro S: Prolotherapy with dextrose to reduce pain in osteoarthritis of the knee. Reumatol Clin (Engl Ed). 2022 Apr;18(4):251-252. doi: 10.1016/j.reumae.2020.08.002. Epub 2021 Apr 5. [PubMed:35489813 ]
- Gryspeerdt E, Mutluoglu M, Rummens S, Van Wambeke P, Peers K: Wasting of the hand is not fate! A case of missed true neurogenic thoracic outlet syndrome. Reumatol Clin (Engl Ed). 2022 Apr;18(4):249-250. doi: 10.1016/j.reumae.2021.05.005. [PubMed:35489812 ]
- Tezcan ME, Volkan O, Mercan R, Sen N, Yilmaz-Oner S: Familial mediterranean fever patients may have unmet needs for the treatments of exertional leg pain and enthesitis. Reumatol Clin (Engl Ed). 2022 Apr;18(4):227-230. doi: 10.1016/j.reumae.2021.02.009. [PubMed:35489811 ]
- Tugwell P, Tovey D: Editors' Choice March 2022: Harmonisation needed in a) assessing harms and b) guideline classification of certainty of evidence and strength. J Clin Epidemiol. 2022 Mar;143:A4-A5. doi: 10.1016/j.jclinepi.2022.01.019. [PubMed:35489810 ]
- Rozema JJ, Zakaria N, Dhubhghaill SN: A deep look into animated eyes. J Optom. 2022 Apr-Jun;15(2):107-111. doi: 10.1016/j.optom.2022.02.001. [PubMed:35489809 ]
- Authors unspecified: Expression of concern: "Glioma cell-derived FGF20 suppresses macrophage function by activating beta-catenin" [Cellular Signalling January 2022, 110,181]. Cell Signal. 2022 Jun;94:110312. doi: 10.1016/j.cellsig.2022.110312. Epub 2022 Mar 15. [PubMed:35489808 ]
- Cesari M, Calvani R, Canevelli M, Marzetti E: Translation of Research on Sarcopenia Into Clinical Practice. J Am Med Dir Assoc. 2022 May;23(5):705-706. doi: 10.1016/j.jamda.2022.03.006. [PubMed:35489807 ]
- Holleck JL, Jalbut MM, Rodwin BA, Chang JJ, Holleck ME, Merchant N: Improving Adherence to Risk Stratification Guidelines Regarding Venous Thromboembolism Prophylaxis. Jt Comm J Qual Patient Saf. 2022 May;48(5):301-303. doi: 10.1016/j.jcjq.2022.02.004. Epub 2022 Feb 12. [PubMed:35489805 ]
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