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CAS 102092-23-9

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Benzoic acid, 3-chloro-6-hydroxy-4-methoxy-2-methyl-, (2R,4S,4aR,7aS,7bR)-2,4,4a,5,6,7,7a,7b-octahydro-4-hydroxy-3-(hydroxymethyl)-6,6,7b-trimethyl-1H-cyclobut[e]inden-2-yl ester

Description:
The chemical substance known as Benzoic acid, 3-chloro-6-hydroxy-4-methoxy-2-methyl-, with the CAS number 102092-23-9, is a complex organic compound characterized by its multi-functional groups and stereochemistry. It features a benzoic acid moiety, which contributes to its acidity and potential for forming salts and esters. The presence of chlorine, hydroxy, and methoxy groups indicates that it may exhibit diverse reactivity, including nucleophilic substitution and hydrogen bonding. The compound's stereochemistry, denoted by the (2R,4S,4aR,7aS,7bR) configuration, suggests specific spatial arrangements that can influence its biological activity and interaction with other molecules. Additionally, the cyclobut[e]inden structure implies a fused ring system that may contribute to its stability and unique properties. Overall, this compound may have applications in pharmaceuticals or agrochemicals, although its specific uses would depend on further research into its biological activity and chemical behavior.
Formula:C24H31ClO6
InChI:InChI=1S/C24H31ClO6/c1-11-18(15(27)6-16(30-5)20(11)25)22(29)31-17-9-24(4)14-8-23(2,3)7-12(14)21(28)13(10-26)19(17)24/h6,12,14,17,21,26-28H,7-10H2,1-5H3/t12-,14+,17-,21+,24-/m1/s1
InChI key:InChIKey=OMAGQTXDHXASNM-RNNQDMPLSA-N
SMILES:C[C@@]12C([C@H](OC(=O)C3=C(C)C(Cl)=C(OC)C=C3O)C1)=C(CO)[C@@H](O)[C@]4([C@@]2(CC(C)(C)C4)[H])[H]
Synonyms:
  • Benzoic acid, 3-chloro-6-hydroxy-4-methoxy-2-methyl-, 2,4,4a,5,6,7,7a,7b-octahydro-4-hydroxy-3-(hydroxymethyl)-6,6,7b-trimethyl-1H-cyclobut[e]inden-2-yl ester, [2R-(2α,4α,4aα,7aα,7bβ)]-
  • Arnamiol
  • Benzoic acid, 3-chloro-6-hydroxy-4-methoxy-2-methyl-, (2R,4S,4aR,7aS,7bR)-2,4,4a,5,6,7,7a,7b-octahydro-4-hydroxy-3-(hydroxymethyl)-6,6,7b-trimethyl-1H-cyclobut[e]inden-2-yl ester
  • Melleolide Q
  • 1H-Cyclobut[e]indene, benzoic acid deriv.
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