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CAS 127500-59-8

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

Description:
The chemical substance known as Benzoic acid, 2-hydroxy-4-methoxy-6-methyl-, with the CAS number 127500-59-8, 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 hydroxy (-OH) and methoxy (-OCH3) groups indicates that it may exhibit hydrogen bonding capabilities, influencing its solubility and reactivity. The compound also contains a cyclobut[e]inden structure, which suggests a degree of rigidity and potential for unique stereochemical interactions. Its octahydro configuration implies multiple saturated carbon centers, contributing to its overall stability. This compound may have applications in pharmaceuticals or as a chemical intermediate, although specific uses would depend on its reactivity and biological activity. Overall, its complex structure and functional groups suggest a versatile compound with potential significance in various chemical contexts.
Formula:C24H30O7
InChI:InChI=1S/C24H30O7/c1-13-6-15(30-5)7-16(26)19(13)20(27)31-18-10-22(4)17-9-21(2,3)12-23(17,28)8-14(11-25)24(18,22)29/h6-8,11,17-18,26,28-29H,9-10,12H2,1-5H3/t17-,18-,22-,23+,24+/m1/s1
InChI key:InChIKey=JGQMXVRWAOSIBE-NUXVFQDLSA-N
SMILES:O[C@@]12[C@@](C)([C@@]3([C@](O)(C=C1C=O)CC(C)(C)C3)[H])C[C@H]2OC(=O)C4=C(C)C=C(OC)C=C4O
Synonyms:
  • Benzoic acid, 2-hydroxy-4-methoxy-6-methyl-, 3-formyl-2,2a,4a,5,6,7,7a,7b-octahydro-2a,4a-dihydroxy-6,6,7b-trimethyl-1H-cyclobut[e]inden-2-yl ester, [2R-(2α,2aβ,4aα,7aα,7bβ)]-
  • 1H-Cyclobut[e]indene, benzoic acid deriv.
  • (+)-Armillarilin
  • Benzoic acid, 2-hydroxy-4-methoxy-6-methyl-, (2R,2aS,4aR,7aR,7bR)-3-formyl-2,2a,4a,5,6,7,7a,7b-octahydro-2a,4a-dihydroxy-6,6,7b-trimethyl-1H-cyclobut[e]inden-2-yl ester
  • Armillarilin
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