CAS 156294-36-9: 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=C(OC(C)(C)C)NC(C=1C=CC=CC1)C(O)C(=O)OC2C(=C3C(OC(=O)C)C(=O)C45CC5CC6OCC6(OC(=O)C)C4C(OC(=O)C=7C=CC=CC7)C(O)(C2)C3(C)C)C

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]]-

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)-

CAS: 156294-36-9

• Formula: C₄₅H₅₃NO₁₄
• Purity: 98%
• Color and Shape: Solid
• Molecular weight: 831.9006

Larotaxel-d9

CAS: 156294-36-9

• Formula: C₄₅H₄₄D₉NO₁₄
• Color and Shape: White To Off-White Solid
• Molecular weight: 840.97

Larotaxel

CAS: 156294-36-9

Larotaxel (XRP9881), a taxane with anticancer properties, stabilizes microtubules, induces apoptosis, and is researched in …

• Formula: C₄₅H₅₃NO₁₄
• Purity: 99.22%
• Color and Shape: Solid
• Molecular weight: 831.9

Larotaxel

CAS: 156294-36-9

• Formula: C₄₅H₅₃NO₁₄
• Molecular weight: 831.347

Larotaxel

CAS: 156294-36-9

Applications Larotaxel (RPR 109881A) is a taxane analog with a broad spectrum of activity and …

• Formula: C₄₅H₅₃NO₁₄
• Color and Shape: Neat
• Molecular weight: 831.90

Larotaxel

CAS: 156294-36-9

Larotaxel is a taxane drug that is used to treat solid tumours. It has been …

• Formula: C₄₅H₅₃NO₁₄
• Purity: Min. 95%
• Molecular weight: 831.9 g/mol