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14773-00-3,MFCD00271398
Catalog No.:AA00ADO5

14773-00-3 | 3-Oxo-7α-hydroxy-5β-cholan-24-oic acid methyl ester

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Technical Information
Catalog Number:
AA00ADO5
Chemical Name:
3-Oxo-7α-hydroxy-5β-cholan-24-oic acid methyl ester
CAS Number:
14773-00-3
Molecular Formula:
C25H40O4
Molecular Weight:
404.5827
MDL Number:
MFCD00271398
SMILES:
CC(CCC(=O)OC)C1CCC2C1(CCC3C2C(CC4C3(CCC(=O)C4)C)O)C
Properties
Computed Properties
 
Complexity:
659  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
9  
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
5  
XLogP3:
4.8  

Literature
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SDS
Tags:14773-00-3 Molecular Formula|14773-00-3 MDL|14773-00-3 SMILES|14773-00-3 3-Oxo-7α-hydroxy-5β-cholan-24-oic acid methyl ester