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Home Amines 71610-00-9
71610-00-9,MFCD01075131
Catalog No.:AA0038EC

71610-00-9 | Benzenepropanoic acid, α-hydroxy-β-[[(2E)-2-methyl-1-oxo-2-buten-1-yl]amino]-, (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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1mg
≥98%
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$69.00   $48.00
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5mg
98%(HPLC)
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$205.00   $144.00
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10mg
98%(HPLC)
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$332.00   $233.00
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  • Technical Information
  • Properties
  • Literature
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA0038EC
Chemical Name:
Benzenepropanoic acid, α-hydroxy-β-[[(2E)-2-methyl-1-oxo-2-buten-1-yl]amino]-, (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:
71610-00-9
Molecular Formula:
C37H43NO10
Molecular Weight:
661.7380
MDL Number:
MFCD01075131
SMILES:
C/C=C(/C(=O)N[C@@H](c1ccccc1)[CH]C(=O)O[C@H]1C[C]2[CH]C3[C](C(=O)[C@@H](C(=C1C)C2(C)C)OC(=O)C)[C@@H](O)C[C@@H]1[C@]3(CO1)OC(=O)C)\C
Properties
Computed Properties
 
Complexity:
1790  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
11  
Defined Bond Stereocenter Count:
1  
Heavy Atom Count:
60  
Hydrogen Bond Acceptor Count:
14  
Hydrogen Bond Donor Count:
4  
Rotatable Bond Count:
14  
XLogP3:
2  

Literature

Title: Fatal poisoning with Taxus baccata: quantification of paclitaxel (taxol A), 10-deacetyltaxol, baccatin III, 10-deacetylbaccatin III, cephalomannine (taxol B), and 3,5-dimethoxyphenol in body fluids by liquid chromatography-tandem mass spectrometry.

Journal: Journal of analytical toxicology 20120101

Title: C-7 configuration as one of determinants in taxanes metabolism by human cytochrome P450 enzymes.

Journal: Xenobiotica; the fate of foreign compounds in biological systems 20091201

Title: On the origins of the universal dynamics of endogenous granules in mammalian cells.

Journal: Molecular & cellular biomechanics : MCB 20091201

Title: Histone deacetylase and microtubules as targets for the synthesis of releasable conjugate compounds.

Journal: Bioorganic & medicinal chemistry letters 20091115

Title: Preparative separation and enrichment of four taxoids from Taxus chinensis needles extracts by macroporous resin column chromatography.

Journal: Journal of separation science 20090501

Title: Synthesis and biological activities of high affinity taxane-based fluorescent probes.

Journal: Bioorganic & medicinal chemistry letters 20090201

Title: Overcoming tumor drug resistance with C2-modified 10-deacetyl-7-propionyl cephalomannines: a QSAR study.

Journal: Molecular pharmaceutics 20090101

Title: Lx2-32c, a novel taxane and its antitumor activities in vitro and in vivo.

Journal: Cancer letters 20080908

Title: [Quantitative changes of anti-cancer active components in Taxus chinensis var. mairei branches and leaves].

Journal: Ying yong sheng tai xue bao = The journal of applied ecology 20080401

Title: Taxane's substituents at C3' affect its regioselective metabolism: different in vitro metabolism of cephalomannine and paclitaxel.

Journal: Drug metabolism and disposition: the biological fate of chemicals 20080201

Title: Microbial transformation of cephalomannine by Luteibacter sp.

Journal: Journal of natural products 20071201

Title: Rapid separation of four main taxoids in Taxus species by a combined LLP-SPE-HPLC (PAD) procedure.

Journal: Journal of separation science 20060601

Title: A novel bioassay for screening and quantification of taxanes.

Journal: Chemical communications (Cambridge, England) 20030521

Title: New taxane analogues from the needles of Taxus canadensis.

Journal: Journal of natural products 20010401

Title: Feng Gao, et al. Synthesis, isolation, stereostructure and cytotoxicity of paclitaxel analogs from cephalomannine.Fitoterapia. 2013 Oct;90:79-84.

Title: Jianhua Li, et al. Microbial transformation of cephalomannine by Luteibacter sp. J Nat Prod. 2007 Dec;70(12):1846-9.

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Tags:71610-00-9 Molecular Formula|71610-00-9 MDL|71610-00-9 SMILES|71610-00-9 Benzenepropanoic acid, α-hydroxy-β-[[(2E)-2-methyl-1-oxo-2-buten-1-yl]amino]-, (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)-