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CAS 102092-44-4

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Benzoic acid, 2-hydroxy-4-methoxy-6-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)]-

Description:
The chemical substance known as Benzoic acid, 2-hydroxy-4-methoxy-6-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, with CAS number 102092-44-4, is a complex organic compound characterized by its intricate molecular structure. It features multiple functional groups, including a benzoic acid moiety, hydroxyl groups, and methoxy groups, which contribute to its potential reactivity and solubility properties. The presence of multiple methyl groups and a cyclobutene structure suggests that it may exhibit unique steric and electronic characteristics, influencing its behavior in chemical reactions. This compound may be of interest in various fields, including pharmaceuticals and agrochemicals, due to its potential biological activity. Its stereochemistry, indicated by the specific R and S configurations, may also play a crucial role in its interactions with biological systems. Overall, this substance exemplifies the complexity often found in organic chemistry, where small changes in structure can lead to significant differences in properties and applications.
Formula:C24H32O6
InChI:InChI=1S/C24H32O6/c1-12-6-13(29-5)7-17(26)19(12)22(28)30-18-10-24(4)16-9-23(2,3)8-14(16)21(27)15(11-25)20(18)24/h6-7,14,16,18,21,25-27H,8-11H2,1-5H3/t14-,16+,18-,21+,24-/m1/s1
InChI key:InChIKey=KIBURFBDQVFUHO-ZXSIQIRYSA-N
SMILES:C[C@@]12[C@@]3([C@]([C@H](O)C(CO)=C1[C@H](OC(=O)C4=C(C)C=C(OC)C=C4O)C2)(CC(C)(C)C3)[H])[H]
Synonyms:
  • Armillol everninate
  • 1H-Cyclobut[e]indene, benzoic acid deriv.
  • Benzoic acid, 2-hydroxy-4-methoxy-6-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)]-
  • Armillyl everninate
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