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CAS 156294-36-9

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Benzenepropanoic acid, β-[[(1,1-dimethylethoxy)carbonyl]amino]-α-hydroxy-, (1S,2S,4S,7R,8aR,9aS,10aR,12aS,12bR)-7,12a-bis(acetyloxy)-1-(benzoyloxy)-1,3,4,7,8,9,9a,10,10a,12,12a,12b-dodecahydro-2-hydroxy-5,13,13-trimethyl-8-oxo-2,6-methano-2H-cyclodeca[3,4]cyclopropa[4,5]benz[1,2-b]oxet-4-yl ester, (αR,βS)-

Description:
Benzenepropanoic acid, β-[[(1,1-dimethylethoxy)carbonyl]amino]-α-hydroxy- is a complex organic compound characterized by its intricate molecular structure, which includes multiple functional groups such as carboxylic acids, esters, and hydroxyl groups. This compound features a bicyclic framework, indicative of its potential biological activity, and is likely to exhibit properties typical of both aromatic and aliphatic compounds. The presence of multiple stereocenters suggests that it may exist in various stereoisomeric forms, which can significantly influence its chemical behavior and interactions. The compound's solubility may vary depending on the solvent, with polar solvents likely enhancing its solubility due to the presence of hydroxyl and carboxylic acid groups. Additionally, the presence of acetoxy and benzoyloxy substituents may contribute to its reactivity and potential applications in medicinal chemistry or as a synthetic intermediate. Overall, this compound's structural complexity and functional diversity make it a subject of interest in chemical research and potential pharmaceutical applications.
Formula:C45H53NO14
InChI:InChI=1S/C45H53NO14/c1-23-29(57-39(52)33(49)32(26-15-11-9-12-16-26)46-40(53)60-41(4,5)6)21-45(54)37(58-38(51)27-17-13-10-14-18-27)35-43(36(50)34(56-24(2)47)31(23)42(45,7)8)20-28(43)19-30-44(35,22-55-30)59-25(3)48/h9-18,28-30,32-35,37,49,54H,19-22H2,1-8H3,(H,46,53)/t28-,29+,30-,32+,33-,34-,35+,37+,43-,44+,45-/m1/s1
InChI key:InChIKey=DXOJIXGRFSHVKA-BZVZGCBYSA-N
SMILES:O=C1[C@@]23[C@@]([C@@]4(OC(C)=O)[C@@](C[C@@]2(C3)[H])(OC4)[H])([C@H](OC(=O)C5=CC=CC=C5)[C@@]6(O)C(C)(C)C([C@H]1OC(C)=O)=C(C)[C@@H](OC([C@@H]([C@@H](NC(OC(C)(C)C)=O)C7=CC=CC=C7)O)=O)C6)[H]
Synonyms:
  • PNU 100940
  • Benzenepropanoic acid, β-[[(1,1-dimethylethoxy)carbonyl]amino]-α-hydroxy-, (1S,2S,4S,7R,8aR,9aS,10aR,12aS,12bR)-7,12a-bis(acetyloxy)-1-(benzoyloxy)-1,3,4,7,8,9,9a,10,10a,12,12a,12b-dodecahydro-2-hydroxy-5,13,13-trimethyl-8-oxo-2,6-methano-2H-cyclodeca[3,4]cyclopropa[4,5]benz[1,2-b]oxet-4-yl ester, (αR,βS)-
  • Benzenepropanoic acid, β-[[(1,1-dimethylethoxy)carbonyl]amino]-α-hydroxy-, (1S,2S,4S,7R,8aR,9aS,10aR,12aS,12bR)-7,12a-bis(acetyloxy)-1-(benzoyloxy)-1,3,4,7,8,9,9a,10,10a,12,12a,12b-dodecahydro-2-hydroxy-5,13,13-trimethyl-8-oxo-2,6-methano-2H-cyclodeca[3,4]cyclopropa[4,5]benz[1,2-b]oxet-4-yl ester
  • Larotaxel
  • Benzenepropanoic acid, β-[[(1,1-dimethylethoxy)carbonyl]amino]-α-hydroxy-, 7,12a-bis(acetyloxy)-1-(benzoyloxy)-1,3,4,7,8,9,9a,10,10a,12,12a,12b-dodecahydro-2-hydroxy-5,13,13-trimethyl-8-oxo-2,6-methano-2H-cyclodeca[3,4]cyclopropa[4,5]benz[1,2-b]oxet-4-yl ester, [1S-[1α,2α,4α(αS*,βR*),7β,8aS*,9aα,10aα,12aα,12bα]]-
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