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Home Other Building Blocks 172018-16-5
172018-16-5
Catalog No.:AA00ADKE

172018-16-5 | 13-epi-10-Deacetyl Baccatin III

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Technical Information
Catalog Number:
AA00ADKE
Chemical Name:
13-epi-10-Deacetyl Baccatin III
CAS Number:
172018-16-5
Molecular Formula:
C29H36O10
Molecular Weight:
544.5901
SMILES:
CC(=O)O[C@@]12CO[C@@H]1C[C@@H]([C@@]1([C@@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@@H](O)C(=C(C2(C)C)[C@H](C1=O)O)C)C)O
Properties
Computed Properties
 
Complexity:
1090  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
9  
Heavy Atom Count:
39  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
4  
Rotatable Bond Count:
5  
XLogP3:
0.6  

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SDS
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Tags:172018-16-5 Molecular Formula|172018-16-5 MDL|172018-16-5 SMILES|172018-16-5 13-epi-10-Deacetyl Baccatin III