ChemSpider 2D Image | (2alpha,5beta,7alpha,10beta,13alpha)-4-Acetoxy-13-{[(2R,3S)-3-{[(2R,3S)-2,3-dibromo-2-methylbutanoyl]amino}-2-hydroxy-3-phenylpropanoyl]oxy}-1,7,10-trihydroxy-9-oxo-5,20-epoxytax-11-en-2-yl benzoate - acetonitrile hydrate (1:1:2) | C45H58Br2N2O15

(2α,5β,7α,10β,13α)-4-Acetoxy-13-{[(2R,3S)-3-{[(2R,3S)-2,3-dibromo-2-methylbutanoyl]amino}-2-hydroxy-3-phenylpropanoyl]oxy}-1,7,10-trihydroxy-9-oxo-5,20-epoxytax-11-en-2-yl benzoate - acetonitrile hydrate (1:1:2)

  • Molecular FormulaC45H58Br2N2O15
  • Average mass1026.754 Da
  • Monoisotopic mass1024.220337 Da
  • ChemSpider ID30651670

  • defined stereocentres - 13 of 13 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2α,5β,7α,10β,13α)-4-Acetoxy-13-{[(2R,3S)-3-{[(2R,3S)-2,3-dibrom-2-methylbutanoyl]amino}-2-hydroxy-3-phenylpropanoyl]oxy}-1,7,10-trihydroxy-9-oxo-5,20-epoxytax-11-en-2-yl-benzoat -ac 
etonitrilhydrat (1:1:2) [German] [ACD/IUPAC Name]
(2α,5β,7α,10β,13α)-4-Acetoxy-13-{[(2R,3S)-3-{[(2R,3S)-2,3-dibromo-2-methylbutanoyl]amino}-2-hydroxy-3-phenylpropanoyl]oxy}-1,7,10-trihydroxy-9-oxo-5,20-epoxytax-11-en-2-yl benzoate - 
 acetonitrile hydrate (1:1:2) [ACD/IUPAC Name]
Benzenepropanoic acid, β-[[(2R,3S)-2,3-dibromo-2-methyl-1-oxobutyl]amino]-α-hydroxy-, (2aR,4R,4aS,6R,9S,11S,12S,12aR,12bS)-12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodec ahydro-4,6,11-trihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, (αR,βS)-, compd. with acetonitrile, hydrate (1:1:2) [ACD/Index Name]
Benzoate de (2α,5β,7α,10β,13α)-4-acétoxy-13-{[(2R,3S)-3-{[(2R,3S)-2,3-dibromo-2-méthylbutanoyl]amino}-2-hydroxy-3-phénylpropanoyl]oxy}-1,7,10-trihydroxy-9-oxo-5,20-époxytax-11-én-2-y 
le - acétonitrile, hydrate (1:1:2) [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

No predicted properties have been calculated for this compound.

Click to predict properties on the Chemicalize site


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