Record Information |
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Version | 1.0 |
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Created at | 2022-09-12 17:00:48 UTC |
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Updated at | 2022-09-12 17:00:48 UTC |
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NP-MRD ID | NP0331052 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | 1,4a-dimethyl-7-(prop-1-en-2-yl)-hexahydro-2h-naphthalene-1,2,6,7-tetrol |
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Description | 1,4A-dimethyl-7-(prop-1-en-2-yl)-decahydronaphthalene-1,2,6,7-tetrol belongs to the class of organic compounds known as eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoids. These are sesquiterpenoids with a structure based on the eudesmane skeleton. 1,4a-dimethyl-7-(prop-1-en-2-yl)-hexahydro-2h-naphthalene-1,2,6,7-tetrol is found in Tessaria integrifolia. 1,4A-dimethyl-7-(prop-1-en-2-yl)-decahydronaphthalene-1,2,6,7-tetrol is an extremely weak basic (essentially neutral) compound (based on its pKa). |
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Structure | CC(=C)C1(O)CC2C(C)(O)C(O)CCC2(C)CC1O InChI=1S/C15H26O4/c1-9(2)15(19)7-10-13(3,8-12(15)17)6-5-11(16)14(10,4)18/h10-12,16-19H,1,5-8H2,2-4H3 |
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Synonyms | Not Available |
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Chemical Formula | C15H26O4 |
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Average Mass | 270.3690 Da |
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Monoisotopic Mass | 270.18311 Da |
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IUPAC Name | 1,4a-dimethyl-7-(prop-1-en-2-yl)-decahydronaphthalene-1,2,6,7-tetrol |
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Traditional Name | 1,4a-dimethyl-7-(prop-1-en-2-yl)-hexahydro-2H-naphthalene-1,2,6,7-tetrol |
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CAS Registry Number | Not Available |
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SMILES | CC(=C)C1(O)CC2C(C)(O)C(O)CCC2(C)CC1O |
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InChI Identifier | InChI=1S/C15H26O4/c1-9(2)15(19)7-10-13(3,8-12(15)17)6-5-11(16)14(10,4)18/h10-12,16-19H,1,5-8H2,2-4H3 |
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InChI Key | FKXMJDXYVBQZKU-UHFFFAOYSA-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 eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoids. These are sesquiterpenoids with a structure based on the eudesmane skeleton. |
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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 | Eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoids |
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Alternative Parents | |
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Substituents | - Eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoid
- Tertiary alcohol
- Cyclic alcohol
- Secondary alcohol
- Polyol
- 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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