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23017-97-2
Catalog No.:AA00BJW1

23017-97-2 | Δ4-Dafachronic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
≥95%
in stock  
$158.00   $110.00
- +
5mg
≥95%
in stock  
$656.00   $459.00
- +
10mg
≥95%
in stock  
$1,160.00   $812.00
- +
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  • Technical Information
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Technical Information
Catalog Number:
AA00BJW1
Chemical Name:
Δ4-Dafachronic acid
CAS Number:
23017-97-2
Molecular Formula:
C27H42O3
Molecular Weight:
414.6206
SMILES:
O=C1CC[C@]2(C(=C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](CCCC(C(=O)O)C)C)C)C
Properties
Computed Properties
 
Complexity:
724  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
7  
Heavy Atom Count:
30  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
6  
Undefined Atom Stereocenter Count:
1  
XLogP3:
7.1  

Literature

Title: Mycobacterium tuberculosis CYP125A1, a steroid C27 monooxygenase that detoxifies intracellularly generated cholest-4-en-3-one.

Journal: Molecular microbiology 20100801

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SDS
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Tags:23017-97-2 Molecular Formula|23017-97-2 MDL|23017-97-2 SMILES|23017-97-2 Δ4-Dafachronic acid