Home Amines 167074-97-7
167074-97-7,MFCD00935992
Catalog No.:AA007W99

167074-97-7 | (2aR,4S,4aS,9S,11S,12S,12aR,12bS)-12b-(Acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-4a,8,13,13-tetramethyl-5,6-dioxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl (αR,βS)-β-[[(1,1-dimethylethoxy)carbonyl]amino]-α-hydroxybenzenepropanoate

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Technical Information
Catalog Number:
AA007W99
Chemical Name:
(2aR,4S,4aS,9S,11S,12S,12aR,12bS)-12b-(Acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-4a,8,13,13-tetramethyl-5,6-dioxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl (αR,βS)-β-[[(1,1-dimethylethoxy)carbonyl]amino]-α-hydroxybenzenepropanoate
CAS Number:
167074-97-7
Molecular Formula:
C43H51NO14
Molecular Weight:
805.8633
MDL Number:
MFCD00935992
SMILES:
CC(=O)O[C@@]12CO[C@@H]1C[C@@H]([C@@]1([C@@H]2C(OC(=O)c2ccccc2)[C@]2(O)CC(OC(=O)C([C@H](c3ccccc3)NC(=O)OC(C)(C)C)O)C(=C(C2(C)C)C(=O)C1=O)C)C)O
Properties
Computed Properties
 
Complexity:
1700  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
10  
Heavy Atom Count:
58  
Hydrogen Bond Acceptor Count:
14  
Hydrogen Bond Donor Count:
4  
Rotatable Bond Count:
13  
XLogP3:
2  

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Tags:167074-97-7 Molecular Formula|167074-97-7 MDL|167074-97-7 SMILES|167074-97-7 (2aR,4S,4aS,9S,11S,12S,12aR,12bS)-12b-(Acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-4a,8,13,13-tetramethyl-5,6-dioxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl (αR,βS)-β-[[(1,1-dimethylethoxy)carbonyl]amino]-α-hydroxybenzenepropanoate