Record Information |
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Version | 1.0 |
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Created at | 2022-09-12 15:47:00 UTC |
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Updated at | 2022-09-12 15:47:00 UTC |
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NP-MRD ID | NP0330434 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | (4as,6r,8as)-4a-hydroxy-6-(2-hydroxypropan-2-yl)-4,8a-dimethyl-5,6,7,8-tetrahydro-1h-naphthalen-2-one |
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Description | 5Alpha-Hydroxyisopterocarpolone 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. (4as,6r,8as)-4a-hydroxy-6-(2-hydroxypropan-2-yl)-4,8a-dimethyl-5,6,7,8-tetrahydro-1h-naphthalen-2-one is found in Artemisia eriopoda and Laggera pterodonta. Based on a literature review very few articles have been published on 5alpha-Hydroxyisopterocarpolone. |
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Structure | CC1=CC(=O)C[C@]2(C)CC[C@H](C[C@@]12O)C(C)(C)O InChI=1S/C15H24O3/c1-10-7-12(16)9-14(4)6-5-11(13(2,3)17)8-15(10,14)18/h7,11,17-18H,5-6,8-9H2,1-4H3/t11-,14+,15-/m1/s1 |
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Synonyms | Value | Source |
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5a-Hydroxyisopterocarpolone | Generator | 5Α-hydroxyisopterocarpolone | Generator |
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Chemical Formula | C15H24O3 |
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Average Mass | 252.3540 Da |
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Monoisotopic Mass | 252.17254 Da |
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IUPAC Name | (4aS,6R,8aS)-4a-hydroxy-6-(2-hydroxypropan-2-yl)-4,8a-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-2-one |
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Traditional Name | (4aS,6R,8aS)-4a-hydroxy-6-(2-hydroxypropan-2-yl)-4,8a-dimethyl-5,6,7,8-tetrahydro-1H-naphthalen-2-one |
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CAS Registry Number | Not Available |
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SMILES | CC1=CC(=O)C[C@]2(C)CC[C@H](C[C@@]12O)C(C)(C)O |
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InChI Identifier | InChI=1S/C15H24O3/c1-10-7-12(16)9-14(4)6-5-11(13(2,3)17)8-15(10,14)18/h7,11,17-18H,5-6,8-9H2,1-4H3/t11-,14+,15-/m1/s1 |
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InChI Key | RIELHYZHKAPANU-BYCMXARLSA-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
- Cyclohexenone
- Tertiary alcohol
- Cyclic alcohol
- Cyclic ketone
- Ketone
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Carbonyl group
- 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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