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1171-81-9,MFCD28358978
Catalog No.:AA009KTJ

1171-81-9 | 11beta,16alpha,17,21-tetrahydroxypregn-4-ene-3,20-dione

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Technical Information
Catalog Number:
AA009KTJ
Chemical Name:
11beta,16alpha,17,21-tetrahydroxypregn-4-ene-3,20-dione
CAS Number:
1171-81-9
Molecular Formula:
C21H30O6
Molecular Weight:
378.4593
MDL Number:
MFCD28358978
SMILES:
CC12CCC(=O)C=C1CCC3C2C(CC4(C3CC(C4(C(=O)CO)O)O)C)O
Properties
Computed Properties
 
Complexity:
716  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
8  
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
4  
Rotatable Bond Count:
2  
XLogP3:
1.2  

Literature
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Additional Info:
SDS
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Tags:1171-81-9 Molecular Formula|1171-81-9 MDL|1171-81-9 SMILES|1171-81-9 11beta,16alpha,17,21-tetrahydroxypregn-4-ene-3,20-dione