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Home Amines 132160-32-8
132160-32-8,MFCD08063750
Catalog No.:AA001097

132160-32-8 | Benzenepropanoic acid, β-(benzoylamino)-α,4-dihydroxy-, (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-6,12b-bis(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, (αR,βS)-

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Purity
Availability
Price(USD)
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1mg
3 weeks  
$4,385.00   $3,069.00
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5mg
3 weeks  
$15,138.00   $10,596.00
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  • Technical Information
  • Properties
  • Literature
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA001097
Chemical Name:
Benzenepropanoic acid, β-(benzoylamino)-α,4-dihydroxy-, (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-6,12b-bis(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, (αR,βS)-
CAS Number:
132160-32-8
Molecular Formula:
C47H51NO15
Molecular Weight:
869.9055
MDL Number:
MFCD08063750
SMILES:
Oc1ccc(cc1)[C@@H]([C@H](C(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)c3ccccc3)[C@@H]3[C@@]4(CO[C@@H]4C[C@@H]([C@]3(C(=O)[C@@H](C(=C1C)C2(C)C)OC(=O)C)C)O)OC(=O)C)O)NC(=O)c1ccccc1
Properties
Computed Properties
 
Complexity:
1830  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
11  
Heavy Atom Count:
63  
Hydrogen Bond Acceptor Count:
15  
Hydrogen Bond Donor Count:
5  
Rotatable Bond Count:
14  
XLogP3:
2.1  

Literature

Title: Quantitation of paclitaxel and its two major metabolites using a liquid chromatography-electrospray ionization tandem mass spectrometry.

Journal: Journal of chromatography. B, Analytical technologies in the biomedical and life sciences 20110715

Title: Measurement of paclitaxel and its metabolites in human plasma using liquid chromatography/ion trap mass spectrometry with a sonic spray ionization interface.

Journal: Rapid communications in mass spectrometry : RCM 20060101

Title: Metabolism of paclitaxel in mice.

Journal: Anti-cancer drugs 20030301

Title: Expression of paclitaxel-inactivating CYP3A activity in human colorectal cancer: implications for drug therapy.

Journal: British journal of cancer 20020909

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Tags:132160-32-8 Molecular Formula|132160-32-8 MDL|132160-32-8 SMILES|132160-32-8 Benzenepropanoic acid, β-(benzoylamino)-α,4-dihydroxy-, (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-6,12b-bis(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, (αR,βS)-