Record Information |
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Version | 2.0 |
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Created at | 2022-09-04 19:28:25 UTC |
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Updated at | 2022-09-04 19:28:25 UTC |
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NP-MRD ID | NP0200593 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | (1s,8r,8as)-1,8a-dimethyl-8-(prop-1-en-2-yl)-2,3,4,8-tetrahydro-1h-naphthalene |
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Description | Rulepidadiene B belongs to the class of organic compounds known as branched unsaturated hydrocarbons. These are hydrocarbons that contains one or more unsaturated carbon atoms, and an aliphatic branch. (1s,8r,8as)-1,8a-dimethyl-8-(prop-1-en-2-yl)-2,3,4,8-tetrahydro-1h-naphthalene is found in Russula lepida. It was first documented in 2022 (PMID: 36070841). Based on a literature review a significant number of articles have been published on Rulepidadiene B (PMID: 36070826) (PMID: 36070791) (PMID: 36070773) (PMID: 36070707). |
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Structure | C[C@H]1CCCC2=CC=C[C@H](C(C)=C)[C@]12C InChI=1S/C15H22/c1-11(2)14-10-6-9-13-8-5-7-12(3)15(13,14)4/h6,9-10,12,14H,1,5,7-8H2,2-4H3/t12-,14+,15+/m0/s1 |
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Synonyms | Not Available |
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Chemical Formula | C15H22 |
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Average Mass | 202.3410 Da |
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Monoisotopic Mass | 202.17215 Da |
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IUPAC Name | (4S,4aS,5R)-4,4a-dimethyl-5-(prop-1-en-2-yl)-1,2,3,4,4a,5-hexahydronaphthalene |
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Traditional Name | (1S,8R,8aS)-1,8a-dimethyl-8-(prop-1-en-2-yl)-2,3,4,8-tetrahydro-1H-naphthalene |
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CAS Registry Number | Not Available |
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SMILES | C[C@H]1CCCC2=CC=C[C@H](C(C)=C)[C@]12C |
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InChI Identifier | InChI=1S/C15H22/c1-11(2)14-10-6-9-13-8-5-7-12(3)15(13,14)4/h6,9-10,12,14H,1,5,7-8H2,2-4H3/t12-,14+,15+/m0/s1 |
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InChI Key | NDOOUZVSWOMXFH-NWANDNLSSA-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 branched unsaturated hydrocarbons. These are hydrocarbons that contains one or more unsaturated carbon atoms, and an aliphatic branch. |
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Kingdom | Organic compounds |
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Super Class | Hydrocarbons |
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Class | Unsaturated hydrocarbons |
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Sub Class | Branched unsaturated hydrocarbons |
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Direct Parent | Branched unsaturated hydrocarbons |
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Alternative Parents | |
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Substituents | - Branched unsaturated hydrocarbon
- Polycyclic hydrocarbon
- Cyclic olefin
- Unsaturated aliphatic hydrocarbon
- Olefin
- 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 | - 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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