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6045-53-0,MFCD01822033
Catalog No.:AA00EJMR

6045-53-0 | estra-1,3,5(10)-triene-3,17alpha-diol 3-benzoate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
50mg
2 weeks  
$1,266.00   $886.00
- +
500mg
2 weeks  
$3,409.00   $2,386.00
- +
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Technical Information
Catalog Number:
AA00EJMR
Chemical Name:
estra-1,3,5(10)-triene-3,17alpha-diol 3-benzoate
CAS Number:
6045-53-0
Molecular Formula:
C25H28O3
Molecular Weight:
376.4880
MDL Number:
MFCD01822033
SMILES:
O=C(c1ccccc1)Oc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@H]2O)C
Properties
Computed Properties
 
Complexity:
582  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
5  
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
3  
XLogP3:
4.5  

Literature
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Additional Info:
SDS
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Tags:6045-53-0 Molecular Formula|6045-53-0 MDL|6045-53-0 SMILES|6045-53-0 estra-1,3,5(10)-triene-3,17alpha-diol 3-benzoate