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Home Other Building Blocks 64657-21-2
64657-21-2,MFCD00078929
Catalog No.:AA0039VQ

64657-21-2 | (3R,4aR,5S,6S,6aS,10S,10aR,10bS)-6-(Acetyloxy)-3-ethenyldodecahydro-5,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1H-naphtho[2,1-b]pyran-1-one

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1mg
≥98%
in stock  
$116.00   $81.00
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  • Technical Information
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Technical Information
Catalog Number:
AA0039VQ
Chemical Name:
(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-6-(Acetyloxy)-3-ethenyldodecahydro-5,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1H-naphtho[2,1-b]pyran-1-one
CAS Number:
64657-21-2
Molecular Formula:
C22H34O7
Molecular Weight:
410.5012
MDL Number:
MFCD00078929
SMILES:
C=C[C@@]1(C)CC(=O)[C@]2([C@@](O1)(C)[C@@H](O)[C@H]([C@@H]1[C@]2(C)[C@@H](O)CCC1(C)C)OC(=O)C)O
Properties
Computed Properties
 
Complexity:
747  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
7  
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
3  
Rotatable Bond Count:
3  
Undefined Atom Stereocenter Count:
1  
XLogP3:
1  

Literature

Title: Zhao H, et al. Isoforskolin downregulates proinflammatory responses induced by Borrelia burgdorferi basic membrane protein A.Exp Ther Med. 2017 Dec;14(6):5974-5980.

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Tags:64657-21-2 Molecular Formula|64657-21-2 MDL|64657-21-2 SMILES|64657-21-2 (3R,4aR,5S,6S,6aS,10S,10aR,10bS)-6-(Acetyloxy)-3-ethenyldodecahydro-5,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1H-naphtho[2,1-b]pyran-1-one