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59495-70-4,MFCD28358810
Catalog No.:AA00EF6J

59495-70-4 | 17b-Acetyl-estradiol 3-(tri-O-acetyl-b-D-glucuronic acid methyl ester)

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Technical Information
Catalog Number:
AA00EF6J
Chemical Name:
17b-Acetyl-estradiol 3-(tri-O-acetyl-b-D-glucuronic acid methyl ester)
CAS Number:
59495-70-4
Molecular Formula:
C33H42O12
Molecular Weight:
630.6794
MDL Number:
MFCD28358810
SMILES:
COC(=O)[C@H]1O[C@@H](Oc2ccc3c(c2)CC[C@@H]2[C@@H]3CC[C@]3([C@H]2CC[C@@H]3OC(=O)C)C)[C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)OC(=O)C
Properties
Computed Properties
 
Complexity:
1150  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
10  
Heavy Atom Count:
45  
Hydrogen Bond Acceptor Count:
12  
Rotatable Bond Count:
12  
XLogP3:
4.4  

Literature
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SDS
Tags:59495-70-4 Molecular Formula|59495-70-4 MDL|59495-70-4 SMILES|59495-70-4 17b-Acetyl-estradiol 3-(tri-O-acetyl-b-D-glucuronic acid methyl ester)