| Record Information |
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| Version | 1.0 |
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| Created at | 2020-03-19 00:33:47 UTC |
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| Updated at | 2020-11-18 16:35:07 UTC |
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| CannabisDB ID | CDB000376 |
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| Secondary Accession Numbers | Not Available |
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| Cannabis Compound Identification |
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| Common Name | Eicosanoic acid |
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| Description | Arachidic acid, also known as eicosanoic acid or eicosanoate, is a member of the class of compounds known as long-chain fatty acids. Long-chain fatty acids are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms. Thus, arachidic acid is considered to be a fatty acid lipid molecule. Eicosanoic acid is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Eicosanoic acid can be found in a number of food items such as chinese cinnamon, strawberry, winged bean, and thistle. Eicosanoic acid is an extremely weak basic (essentially neutral) compound (based on its pKa). Eicosanoic acid is one of several unsaturated fatty acids that have been identified in cannabis plants (PMID: 28448475 ). Arachidic acid is used for the production of detergents, photographic materials and lubricants |
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| Structure | |
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| Synonyms | | Value | Source |
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| (1S,2R,5S,10R,11S,14R,15R)-2,15-Dimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0,.0,]heptadec-7-en-5-yl icosanoic acid | Generator |
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| Chemical Formula | C47H84O2 |
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| Average Molecular Weight | 681.19 |
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| Monoisotopic Molecular Weight | 680.6471 |
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| IUPAC Name | (1S,2R,5S,10R,11S,14R,15R)-2,15-dimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-en-5-yl icosanoate |
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| Traditional Name | (1S,2R,5S,10R,11S,14R,15R)-2,15-dimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-en-5-yl icosanoate |
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| CAS Registry Number | 506-30-9 |
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| SMILES | CCCCCCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@H]3CC=C2C1)[C@H](C)CCCC(C)C |
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| InChI Identifier | InChI=1S/C47H84O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27-45(48)49-40-32-34-46(5)39(36-40)28-29-41-43-31-30-42(38(4)26-24-25-37(2)3)47(43,6)35-33-44(41)46/h28,37-38,40-44H,7-27,29-36H2,1-6H3/t38-,40+,41-,42-,43+,44+,46+,47-/m1/s1 |
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| InChI Key | SUOVMGLZSOAHJY-LJQWFZDRSA-N |
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| Chemical Taxonomy |
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| Classification | Not classified |
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| Ontology |
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Not Available | | Physical Properties |
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| State | Solid |
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| Experimental Properties | | Property | Value | Reference |
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| Melting Point | 75.4 °C | Wikipedia | | Boiling Point | 328 °C | Wikipedia | | Water Solubility | Not Available | Not Available | | logP | Not Available | Not Available |
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| Predicted Properties | [] |
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