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33069-62-4,MFCD00869953
Catalog No.:AA0037KV

33069-62-4 | (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-9-(((2R,3S)-3-Benzamido-2-hydroxy-3-phenylpropanoyl)oxy)-12-(benzoyloxy)-4,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-1H-7,11-methanocyclodeca[3,4]benzo[1,2-b]oxete-6,12b-diyl diacetate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
5mg
≥98%
in stock  
$46.00   $32.00
- +
25mg
99%(HPLC)
in stock  
$97.00   $68.00
- +
100mg
≥ 98% (HPLC)
in stock  
$158.00   $110.00
- +
250mg
in stock  
$272.00   $190.00
- +
500mg
in stock  
$350.00   $245.00
- +
  • Technical Information
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Technical Information
Catalog Number:
AA0037KV
Chemical Name:
(2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-9-(((2R,3S)-3-Benzamido-2-hydroxy-3-phenylpropanoyl)oxy)-12-(benzoyloxy)-4,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-1H-7,11-methanocyclodeca[3,4]benzo[1,2-b]oxete-6,12b-diyl diacetate
CAS Number:
33069-62-4
Molecular Formula:
C47H51NO14
Molecular Weight:
853.9061
MDL Number:
MFCD00869953
SMILES:
CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@@H]3[C@]([C@H]2[C@@H]([C@]2(C(C1=C(C)[C@@H](OC(=O)[C@@H]([C@H](c1ccccc1)NC(=O)c1ccccc1)O)C2)(C)C)O)OC(=O)c1ccccc1)(CO3)OC(=O)C
UN Number:
2811
Properties
Properties
 
BP:
774.66°C (rough estimate)  
Form:
Solid  
MP:
213 °C (dec.)(lit.)  
Refractive Index:
-49 ° (C=1, MeOH)  
Solubility:
methanol: 50 mg/mL, clear, colorless  
Storage:
Keep in dry area;-20 ℃;  

Computed Properties
 
Complexity:
1790  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
11  
Heavy Atom Count:
62  
Hydrogen Bond Acceptor Count:
14  
Hydrogen Bond Donor Count:
4  
Rotatable Bond Count:
14  
XLogP3:
2.5  

Literature
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Additional Info:
SDS
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Tags:33069-62-4 Molecular Formula|33069-62-4 MDL|33069-62-4 SMILES|33069-62-4 (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-9-(((2R,3S)-3-Benzamido-2-hydroxy-3-phenylpropanoyl)oxy)-12-(benzoyloxy)-4,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-1H-7,11-methanocyclodeca[3,4]benzo[1,2-b]oxete-6,12b-diyl diacetate