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CAS 114915-19-4

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Carbonic acid, (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-6,9,11-trihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-4-yl 2,2,2-trichloroethyl ester

Description:
The chemical substance you are referring to is a complex organic compound with a lengthy IUPAC name and a specific CAS number, 114915-19-4. This compound features multiple functional groups, including acetoxy and benzoyloxy moieties, indicating it has ester functionalities. The presence of multiple hydroxyl groups suggests it may exhibit properties typical of alcohols, such as solubility in polar solvents and potential reactivity in various chemical reactions. The stereochemistry indicated by the specific configuration at several chiral centers suggests that this compound may have distinct optical properties, which could influence its biological activity. Additionally, the presence of a trichloroethyl ester group may impart unique characteristics, such as increased lipophilicity or specific reactivity patterns. Overall, this compound's complexity and functional diversity suggest potential applications in fields such as pharmaceuticals or agrochemicals, although specific properties like melting point, boiling point, and reactivity would require empirical data for precise characterization.
Formula:C32H37Cl3O12
InChI:InChI=1S/C32H37Cl3O12/c1-15-18(37)12-31(42)25(46-26(40)17-9-7-6-8-10-17)23-29(5,24(39)22(38)21(15)28(31,3)4)19(45-27(41)44-14-32(33,34)35)11-20-30(23,13-43-20)47-16(2)36/h6-10,18-20,22-23,25,37-38,42H,11-14H2,1-5H3/t18-,19-,20+,22+,23-,25-,29+,30-,31+/m0/s1
InChI key:InChIKey=OPWQSSWMTQJNMY-VXUMUFIHSA-N
SMILES:O(C(C)=O)[C@]12[C@]3([C@H](OC(=O)C4=CC=CC=C4)[C@@]5(O)C(C)(C)C([C@@H](O)C(=O)[C@]3(C)[C@@H](OC(OCC(Cl)(Cl)Cl)=O)C[C@]1(OC2)[H])=C(C)[C@@H](O)C5)[H]
Synonyms:
  • 7,11-Methano-1H-cyclodeca[3,4]benz[1,2-b]oxete, carbonic acid deriv.
  • Carbonic acid, 12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-6,9,11-trihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-4-yl 2,2,2-trichloroethyl ester, [2aR-(2aα,4β,4aβ,6β,9α,11α,12α,12aα,12bα)]-
  • Carbonic acid, (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-6,9,11-trihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-4-yl 2,2,2-trichloroethyl ester
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