(4S,4aS,6S,9S,12S,12aR,12bR)-12b-acetoxy-9-(((2R)-3-((tert-butoxycarbonyl)amino)-2-hydroxy-3-phenylpropanoyl)oxy)-4,6,11-trihydroxy-4a,8,13,13-tetramethyl-5-oxo-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-1H-7,11-methanocyclodeca[3,4]benzo[1,2-b]oxet-12-yl (E)-2-methylbut-2-enoate

Catalog No. :
ACZQLA486
CAS No. :
1887057-05-7
Molecular Formula :
C41H55NO14
Molecular Weight :
785.88

IUPAC Name:(4S,4aS,6S,9S,12S,12aR,12bR)-12b-acetoxy-9-(((2R)-3-((tert-butoxycarbonyl)amino)-2-hydroxy-3-phenylpropanoyl)oxy)-4,6,11-trihydroxy-4a,8,13,13-tetramethyl-5-oxo-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-1H-7,11-methanocyclodeca[3,4]benzo[1,2-b]oxet-12-yl (E)-2-methylbut-2-enoate

(4S,4aS,6S,9S,12S,12aR,12bR)-12b-acetoxy-9-(((2R)-3-((tert-butoxycarbonyl)amino)-2-hydroxy-3-phenylpropanoyl)oxy)-4,6,11-trihydroxy-4a,8,13,13-tetramethyl-5-oxo-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-1H-7,11-methanocyclodeca[3,4]benzo[1,2-b]oxet-12-yl (E)-2-methylbut-2-enoate structure diagram
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Product Information

Product Name(4S,4aS,6S,9S,12S,12aR,12bR)-12b-acetoxy-9-(((2R)-3-((tert-butoxycarbonyl)amino)-2-hydroxy-3-phenylpropanoyl)oxy)-4,6,11-trihydroxy-4a,8,13,13-tetramethyl-5-oxo-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-1H-7,11-methanocyclodeca[3,4]benzo[1,2-b]oxet-12-yl (E)-2-methylbut-2-enoate
IUPAC Name(4S,4aS,6S,9S,12S,12aR,12bR)-12b-acetoxy-9-(((2R)-3-((tert-butoxycarbonyl)amino)-2-hydroxy-3-phenylpropanoyl)oxy)-4,6,11-trihydroxy-4a,8,13,13-tetramethyl-5-oxo-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-1H-7,11-methanocyclodeca[3,4]benzo[1,2-b]oxet-12-yl (E)-2-methylbut-2-enoate
Molecular FormulaC41H55NO14
Molecular Weight785.88
SMILESC/C=C(\C)C(=O)O[C@H]1[C@@H]2C3(OC(C)=O)COC3C[C@H](O)[C@@]2(C)C(=O)[C@@H](O)C2=C(C)[C@@H](OC(=O)[C@H](O)C(NC(=O)OC(C)(C)C)C3=CC=CC=C3)CC1(O)C2(C)C
InChI KeyAOEGVETYSHPGBP-KFKCZILZSA-N
SynonymAOEGVETYSHPGBP-XYIDDFOTSA-N;Docetaxel EP impurity A,2-O-desbenzoyl-2-O-tiglyldocetaxel;2-O-desbenzoyl-2-O-tiglyldocetaxel;Benzenepropanoic acid, β-[[(1,1-dimethylethoxy)carbonyl]amino]-α-hydroxy-, (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-(acetyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,6,11-trihydroxy-4a,8,13,13-tetramethyl-12-[[(2E)-2-methyl-1-oxo-2-buten-1-yl]oxy]-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,...;(2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-acetoxy-9-(((2R,3S)-3-((tert-butoxycarbonyl)amino)-2-hydroxy-3-phenylpropanoyl)oxy)-4,6,11-trihydroxy-4a,8,13,13-tetramethyl-5-oxo-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-1H-7,11-methanocyclodeca[3,4]benzo[1,2;2-Desbenzoyl-2-tiglyl DocetaxelQ: What is 2-Desbenzoyl-2-tiglyl Docetaxel Q: What is the CAS Number of 2-Desbenzoyl-2-tiglyl Docetaxel;(2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-acetoxy-9-(((2R,3S)-3-((tert-butoxycarbonyl)amino)-2-hydroxy-3-phenylpropanoyl)oxy)-4,6,11-trihydroxy-4a,8,13,13-tetramethyl-5-oxo-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-1H-7,11-methanocyclodeca[3,4]benzo[1,2-b]oxet-12-yl (E)-2-methylbut-2-enoate;5β,20-epoxy-1,7β,10β-trihydroxy-9-oxotax-11-ene-2α,4,13α-triyl 4-acetate 13-[(2R,3S)-3-[[(1,1-dimethylethoxy)carbonyl]amino]-2-hydroxy-3-phenylpropanoate] 2-[(2E)-2-methylbut-2-enoate] (2-O-desbenzoyl-2-O-tiglyldocetaxel),
CAS No.1887057-05-7

Synthetic Route by SureRoute

1. ACZQLA486 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. ACTDBX046 route compound structure diagram
    ACTDBX04635660-94-7 In Stock
  2. Plus
  3. reactant_2 route compound structure diagram
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  4. Then
  5. ACZQLA486 route product structure diagram
    ACZQLA4861887057-05-7
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2. ACZQLA486 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Plus
  3. reactant_2 route compound structure diagram
    --
  4. Then
  5. ACZQLA486 route product structure diagram
    ACZQLA4861887057-05-7
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