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CAS 183133-95-1

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5-[(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-11-hydroxy-4,6-dimethoxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl] 3-(1,1-dimethylethyl) (2R,4S,5R)-2-(4-methoxyphenyl)-4-phenyl-3,5-oxazolidinedicarboxylate

Description:
The chemical substance with the name "5-[(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-11-hydroxy-4,6-dimethoxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl] 3-(1,1-dimethylethyl) (2R,4S,5R)-2-(4-methoxyphenyl)-4-phenyl-3,5-oxazolidinedicarboxylate" and CAS number "183133-95-1" is a complex organic compound characterized by its intricate molecular structure, which includes multiple functional groups such as acetoxy, benzoyloxy, and methoxy moieties. This compound features a bicyclic framework and exhibits stereochemical specificity, indicated by its multiple chiral centers. Its potential applications may lie in pharmaceuticals or as a biochemical probe, given its structural complexity and the presence of oxazolidinedicarboxylate, which is often associated with biological activity. The presence of various substituents suggests that it may interact with biological systems in specific ways, potentially influencing its solubility, stability, and reactivity. Overall, this compound exemplifies the diversity found in organic chemistry, particularly in the realm of natural product synthesis and medicinal chemistry.
Formula:C53H63NO15
InChI:InChI=1S/C53H63NO15/c1-29-35(65-47(58)41-39(31-18-14-12-15-19-31)54(48(59)69-49(3,4)5)45(66-41)32-22-24-34(61-9)25-23-32)27-53(60)44(67-46(57)33-20-16-13-17-21-33)42-51(8,43(56)40(63-11)38(29)50(53,6)7)36(62-10)26-37-52(42,28-64-37)68-30(2)55/h12-25,35-37,39-42,44-45,60H,26-28H2,1-11H3/t35-,36-,37+,39-,40+,41+,42-,44-,45+,51+,52-,53+/m0/s1
InChI key:InChIKey=JWINQNOFPOPSDF-XAYWJAJDSA-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](OC)C(=O)[C@]3(C)[C@@H](OC)C[C@]1(OC2)[H])=C(C)[C@@H](OC(=O)[C@H]6[C@@H](N(C(OC(C)(C)C)=O)[C@H](O6)C7=CC=C(OC)C=C7)C8=CC=CC=C8)C5)[H]
Synonyms:
  • 5-[(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-11-hydroxy-4,6-dimethoxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl] 3-(1,1-dimethylethyl) (2R,4S,5R)-2-(4-methoxyphenyl)-4-phenyl-3,5-oxazolidinedicarboxylate
  • 4α-Acetoxy-2α-benzoyloxy-5β,20-epoxy-1β,13α-dihydroxy-7β,10β-dimethoxy-9-oxo-11-taxen-13α-yl (2R,4S,5R)-3-tert-butoxycarbonyl-2-(4-methoxyphenyl)-4-phenyl-1,3-oxazolidine-5-carboxylate
  • 4α-Acetoxy-2α-benzoyloxy-5β,20-epoxy-1β-hydroxy-7β,10β-dimethoxy-9-oxo-11-taxen-13α-yl(2R,4S,5R)-3-(tert-butoxycarbonyl)-2-(4-methoxyphenyl)-4-phenyl-1,3-oxazolidine-5-carboxylate
  • 3,5-Oxazolidinedicarboxylic acid, 2-(4-methoxyphenyl)-4-phenyl-, 5-[12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-11-hydroxy-4,6-dimethoxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl] 3-(1,1-dimethylethyl) ester, [2aR-[2aα,4β,4aβ,6β,9α(2R*,4S*,5R*),11α,12α,12aα,12bα]]-
  • 3,5-Oxazolidinedicarboxylic acid, 2-(4-methoxyphenyl)-4-phenyl-, 5-[(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-11-hydroxy-4,6-dimethoxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl] 3-(1,1-dimethylethyl) ester, (2R,4S,5R)-
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