Agathic acid - CAS 640-28-8
Agathic acid metabolite of isocupressic acid.
Catalog Number: I021516
CAS Number: 640-28-8
Molecular Formula: C20H30O4
Molecular Weight:334.46
Purity: 98.0%
Appearance:Solid powder
* For research use only. Not for human or veterinary use.
Synonym
Synonyms | Agathic acid; |
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Property
Molecular Formula: | C20H30O4 |
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Molecular Weight | 334.46 |
Solubility | Soluble in DMSO |
Purity | 98.0% |
Storage | Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years). |
Computed Descriptor
IUPAC Name | (1R,4aS,5R,8aR)-5-((E)-4-carboxy-3-methylbut-3-en-1-yl)-1,4a-dimethyl-6-methylenedecahydronaphthalene-1-carboxylic acid |
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InChI | InChI=1S/C20H30O4/c1-13(12-17(21)22)6-8-15-14(2)7-9-16-19(15,3)10-5-11-20(16,4)18(23)24/h12,15-16H,2,5-11H2,1,3-4H3,(H,21,22)(H,23,24)/b13-12+/t15-,16-,19+,20-/m1/s1 |
InChIKey | QYCOHMYDSOZCQD-ITMPRHFASA-N |
SMILES | O=C([C@]1(C)CCC[C@]2(C)[C@H]1CCC([C@H]2CC/C(C)=C/C(O)=O)=C)O |