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54706-70-6,MFCD30478893
Catalog No.:AA00DB5O

54706-70-6 | Dodecanoic acid ingenol ester

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Purity
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1mg
≥95%
in stock  
$285.00   $199.00
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Technical Information
Catalog Number:
AA00DB5O
Chemical Name:
Dodecanoic acid ingenol ester
CAS Number:
54706-70-6
Molecular Formula:
C32H50O7
Molecular Weight:
546.7352
MDL Number:
MFCD30478893
SMILES:
CCCCCCCCCCCC(=O)O[C@@]12C[C@@H](C)[C@]34C(=O)[C@H]([C@@H]1C2(C)C)C=C([C@H]([C@]4(O)[C@H](C(=C3)C)O)O)CO
Properties
Computed Properties
 
Complexity:
1010  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
8  
Heavy Atom Count:
39  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
4  
Rotatable Bond Count:
13  
XLogP3:
4.7  

Literature
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SDS
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Tags:54706-70-6 Molecular Formula|54706-70-6 MDL|54706-70-6 SMILES|54706-70-6 Dodecanoic acid ingenol ester