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Home Amines 157230-10-9
157230-10-9
Catalog No.:AA001P7W

157230-10-9 | Benzenepropanoic acid, β-(benzoylamino)-α,4-dihydroxy-, (2aR,3S,4R,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-3,4,11-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)-

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1mg
3 weeks  
$5,692.00   $3,984.00
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Technical Information
Catalog Number:
AA001P7W
Chemical Name:
Benzenepropanoic acid, β-(benzoylamino)-α,4-dihydroxy-, (2aR,3S,4R,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-3,4,11-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)-
CAS Number:
157230-10-9
Molecular Formula:
C47H51NO16
Molecular Weight:
885.9049
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@@](C(=O)[C@@H](C(=C1C)C2(C)C)OC(=O)C)(C)[C@@H](O)[C@@H]([C@@H]1[C@]3(CO1)OC(=O)C)O)O)NC(=O)c1ccccc1
Properties
Computed Properties
 
Complexity:
1860  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
12  
Heavy Atom Count:
64  
Hydrogen Bond Acceptor Count:
16  
Hydrogen Bond Donor Count:
6  
Rotatable Bond Count:
14  
XLogP3:
1.2  

Literature

Title: Metabolism of paclitaxel in mice.

Journal: Anti-cancer drugs 20030301

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Tags:157230-10-9 Molecular Formula|157230-10-9 MDL|157230-10-9 SMILES|157230-10-9 Benzenepropanoic acid, β-(benzoylamino)-α,4-dihydroxy-, (2aR,3S,4R,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-3,4,11-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)-