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871982-52-4,MFCD11111618
Catalog No.:AA01E5IO

871982-52-4 | RoquefortineE

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Purity
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1mg
≥95%
in stock  
$262.00   $183.00
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5mg
≥95%
in stock  
$1,165.00   $815.00
- +
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Technical Information
Catalog Number:
AA01E5IO
Chemical Name:
RoquefortineE
CAS Number:
871982-52-4
Molecular Formula:
C27H31N5O2
Molecular Weight:
457.5673
MDL Number:
MFCD11111618
SMILES:
C=CC(c1nc[nH]c1/C=C\1/NC(=O)[C@H]2N(C1=O)[C@@H]1Nc3c([C@@]1(C2)C(C=C)(C)C)cccc3)(C)C
Properties
Computed Properties
 
Complexity:
939  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
3  
Defined Bond Stereocenter Count:
1  
Heavy Atom Count:
34  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Rotatable Bond Count:
5  
XLogP3:
5  

Literature

Title: Roquefortine E, a diketopiperazine from an Australian isolate of Gymnoascus reessii.

Journal: Journal of natural products 20051101

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Tags:871982-52-4 Molecular Formula|871982-52-4 MDL|871982-52-4 SMILES|871982-52-4 RoquefortineE