| Record Information |
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| Version | 2.0 |
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| Created at | 2022-09-08 17:32:01 UTC |
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| Updated at | 2022-09-08 17:32:01 UTC |
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| NP-MRD ID | NP0271287 |
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| Secondary Accession Numbers | None |
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| Natural Product Identification |
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| Common Name | (1r,4as,6r,8ar)-6-(3-hydroxyprop-1-en-2-yl)-8a-methyl-4-methylidene-octahydronaphthalen-1-ol |
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| Description | (1R,4aS,6R,8aR)-6-(3-hydroxyprop-1-en-2-yl)-8a-methyl-4-methylidene-decahydronaphthalen-1-ol 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. (1r,4as,6r,8ar)-6-(3-hydroxyprop-1-en-2-yl)-8a-methyl-4-methylidene-octahydronaphthalen-1-ol is found in Gonospermum fruticosum. Based on a literature review very few articles have been published on (1R,4aS,6R,8aR)-6-(3-hydroxyprop-1-en-2-yl)-8a-methyl-4-methylidene-decahydronaphthalen-1-ol. |
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| Structure | C[C@@]12CC[C@H](C[C@H]1C(=C)CC[C@H]2O)C(=C)CO InChI=1S/C15H24O2/c1-10-4-5-14(17)15(3)7-6-12(8-13(10)15)11(2)9-16/h12-14,16-17H,1-2,4-9H2,3H3/t12-,13+,14-,15-/m1/s1 |
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| Synonyms | Not Available |
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| Chemical Formula | C15H24O2 |
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| Average Mass | 236.3550 Da |
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| Monoisotopic Mass | 236.17763 Da |
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| IUPAC Name | (1R,4aS,6R,8aR)-6-(3-hydroxyprop-1-en-2-yl)-8a-methyl-4-methylidene-decahydronaphthalen-1-ol |
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| Traditional Name | (1R,4aS,6R,8aR)-6-(3-hydroxyprop-1-en-2-yl)-8a-methyl-4-methylidene-octahydronaphthalen-1-ol |
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| CAS Registry Number | Not Available |
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| SMILES | C[C@@]12CC[C@H](C[C@H]1C(=C)CC[C@H]2O)C(=C)CO |
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| InChI Identifier | InChI=1S/C15H24O2/c1-10-4-5-14(17)15(3)7-6-12(8-13(10)15)11(2)9-16/h12-14,16-17H,1-2,4-9H2,3H3/t12-,13+,14-,15-/m1/s1 |
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| InChI Key | GQALYZKBZHJCTF-LXTVHRRPSA-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
- Cyclic alcohol
- Secondary alcohol
- Organic oxygen compound
- Hydrocarbon derivative
- Primary alcohol
- 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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