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14364-98-8,MFCD31562871
Catalog No.:AA00ADZN

14364-98-8 | 17β-Estradiol 3-O-Benzyl 17-(2,3,4-Tri-O-acetyl-β-D-glucuronide Methyl Ester)

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Technical Information
Catalog Number:
AA00ADZN
Chemical Name:
17β-Estradiol 3-O-Benzyl 17-(2,3,4-Tri-O-acetyl-β-D-glucuronide Methyl Ester)
CAS Number:
14364-98-8
Molecular Formula:
C38H46O11
Molecular Weight:
678.7652
MDL Number:
MFCD31562871
SMILES:
COC(=O)[C@H]1O[C@@H](O[C@H]2CC[C@@H]3[C@]2(C)CC[C@H]2[C@H]3CCc3c2ccc(c3)OCc2ccccc2)[C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)OC(=O)C
Properties
Computed Properties
 
Complexity:
1200  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
10  
Heavy Atom Count:
49  
Hydrogen Bond Acceptor Count:
11  
Rotatable Bond Count:
13  
XLogP3:
5.9  

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SDS
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Tags:14364-98-8 Molecular Formula|14364-98-8 MDL|14364-98-8 SMILES|14364-98-8 17β-Estradiol 3-O-Benzyl 17-(2,3,4-Tri-O-acetyl-β-D-glucuronide Methyl Ester)