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CAS 65310-45-4

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12-chloroabieta-8(14),9(11),12-trien-18-oic acid

Description:
12-Chloroabieta-8(14),9(11),12-trien-18-oic acid, with the CAS number 65310-45-4, is a synthetic compound derived from abietic acid, which is a natural resin acid found in pine trees. This substance features a complex polycyclic structure characterized by a chlorine atom substitution at the 12-position and multiple double bonds within its triene system. The presence of the carboxylic acid functional group (-COOH) indicates its acidic nature, which can influence its solubility and reactivity. Typically, compounds like this may exhibit biological activity, potentially serving as intermediates in organic synthesis or as active pharmaceutical ingredients. The chlorine substitution can enhance lipophilicity, affecting the compound's interaction with biological membranes. Additionally, the structural features suggest potential applications in fields such as agrochemicals or materials science. However, specific properties such as melting point, boiling point, and solubility would require empirical data for precise characterization. Overall, this compound represents a unique intersection of natural product chemistry and synthetic modification.
Formula:C20H27ClO2
InChI:InChI=1/C20H27ClO2/c1-12(2)14-10-13-6-7-17-19(3,15(13)11-16(14)21)8-5-9-20(17,4)18(22)23/h10-12,17H,5-9H2,1-4H3,(H,22,23)/t17-,19-,20-/m1/s1
SMILES:CC(C)c1cc2CC[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)c2cc1Cl
Synonyms:
  • 1-Phenanthrenecarboxylic acid, 6-chloro-1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, (1R,4aS,10aR)-
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