Home Bromides 1262-67-5
1262-67-5,MFCD28899314
Catalog No.:AA009EN9

1262-67-5 | 18β-Hydroxy-11,17α-diMethoxy-3β,20α-yohiMban-16β-carboxylic Acid Methyl, p-BroMobenzenesulfonate Ester

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Technical Information
Catalog Number:
AA009EN9
Chemical Name:
18β-Hydroxy-11,17α-diMethoxy-3β,20α-yohiMban-16β-carboxylic Acid Methyl, p-BroMobenzenesulfonate Ester
CAS Number:
1262-67-5
Molecular Formula:
C29H33BrN2O7S
Molecular Weight:
633.5505
MDL Number:
MFCD28899314
SMILES:
COC1C(CC2CN3CCC4=C(C3CC2C1C(=O)OC)NC5=C4C=CC(=C5)OC)OS(=O)(=O)C6=CC=C(C=C6)Br
Properties
Computed Properties
 
Complexity:
1020  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
6  
Heavy Atom Count:
40  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
7  
XLogP3:
4.3  

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Tags:1262-67-5 Molecular Formula|1262-67-5 MDL|1262-67-5 SMILES|1262-67-5 18β-Hydroxy-11,17α-diMethoxy-3β,20α-yohiMban-16β-carboxylic Acid Methyl, p-BroMobenzenesulfonate Ester