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61558-12-1
Catalog No.:AA00EF70

61558-12-1 | 21-Dehydro BetaMethasone

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  • Technical Information
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Technical Information
Catalog Number:
AA00EF70
Chemical Name:
21-Dehydro BetaMethasone
CAS Number:
61558-12-1
Molecular Formula:
C44H56F2O11
Molecular Weight:
798.9056
SMILES:
O=C1C=C[C@]2(C(=C1)CC[C@@H]1[C@]2(F)[C@@H](O)C[C@]2([C@H]1C[C@@H]([C@]2(O)C(=O)C(O)O)C)C)C.O=CC(=O)[C@@]1(O)[C@@H](C)C[C@@H]2[C@]1(C)C[C@H](O)[C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F
Properties
Computed Properties
 
Complexity:
833  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
8  
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
2  
XLogP3:
2.3  

Literature
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SDS
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Tags:61558-12-1 Molecular Formula|61558-12-1 MDL|61558-12-1 SMILES|61558-12-1 21-Dehydro BetaMethasone