Record Information |
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Version | 2.0 |
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Created at | 2022-09-12 06:37:28 UTC |
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Updated at | 2022-09-12 06:37:28 UTC |
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NP-MRD ID | NP0325685 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | (4ar,7r,8as)-1,8a-dimethyl-7-(prop-1-en-2-yl)-4,4a,5,6,7,8-hexahydro-3h-naphthalene |
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Description | (2R,4aR,8aS)-8,8a-dimethyl-2-(prop-1-en-2-yl)-1,2,3,4,4a,5,6,8a-octahydronaphthalene belongs to the class of organic compounds known as eremophilane, 8,9-secoeremophilane and furoeremophilane sesquiterpenoids. These are sesquiterpenoids with a structure based either on the eremophilane skeleton, its 8,9-seco derivative, or the furoeremophilane skeleton. Eremophilanes have been shown to be derived from eudesmanes by migration of the methyl group at C-10 to C-5. (4ar,7r,8as)-1,8a-dimethyl-7-(prop-1-en-2-yl)-4,4a,5,6,7,8-hexahydro-3h-naphthalene is found in Petasites albus. Based on a literature review very few articles have been published on (2R,4aR,8aS)-8,8a-dimethyl-2-(prop-1-en-2-yl)-1,2,3,4,4a,5,6,8a-octahydronaphthalene. |
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Structure | CC(=C)[C@@H]1CC[C@H]2CCC=C(C)[C@@]2(C)C1 InChI=1S/C15H24/c1-11(2)13-8-9-14-7-5-6-12(3)15(14,4)10-13/h6,13-14H,1,5,7-10H2,2-4H3/t13-,14-,15-/m1/s1 |
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Synonyms | Not Available |
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Chemical Formula | C15H24 |
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Average Mass | 204.3570 Da |
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Monoisotopic Mass | 204.18780 Da |
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IUPAC Name | (2R,4aR,8aS)-8,8a-dimethyl-2-(prop-1-en-2-yl)-1,2,3,4,4a,5,6,8a-octahydronaphthalene |
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Traditional Name | (4aR,7R,8aS)-1,8a-dimethyl-7-(prop-1-en-2-yl)-4,4a,5,6,7,8-hexahydro-3H-naphthalene |
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CAS Registry Number | Not Available |
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SMILES | CC(=C)[C@@H]1CC[C@H]2CCC=C(C)[C@@]2(C)C1 |
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InChI Identifier | InChI=1S/C15H24/c1-11(2)13-8-9-14-7-5-6-12(3)15(14,4)10-13/h6,13-14H,1,5,7-10H2,2-4H3/t13-,14-,15-/m1/s1 |
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InChI Key | ZZPSOALECBMAMW-RBSFLKMASA-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 eremophilane, 8,9-secoeremophilane and furoeremophilane sesquiterpenoids. These are sesquiterpenoids with a structure based either on the eremophilane skeleton, its 8,9-seco derivative, or the furoeremophilane skeleton. Eremophilanes have been shown to be derived from eudesmanes by migration of the methyl group at C-10 to C-5. |
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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 | Sesquiterpenoids |
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Direct Parent | Eremophilane, 8,9-secoeremophilane and furoeremophilane sesquiterpenoids |
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Alternative Parents | |
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Substituents | - Eremophilane sesquiterpenoid
- Branched unsaturated hydrocarbon
- Polycyclic hydrocarbon
- Cyclic olefin
- Unsaturated aliphatic hydrocarbon
- Unsaturated hydrocarbon
- Olefin
- Hydrocarbon
- 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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