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570-62-7,MFCD00200635
Catalog No.:AA00EZFQ

570-62-7 | (4R)-4-[(3R,5R,8R,9S,10S,12R,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid

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50mg
>98%
in stock  
$2,417.00   $1,692.00
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100mg
>98%
in stock  
$3,862.00   $2,703.00
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  • Technical Information
  • Properties
  • Literature
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  • Technical Information
  • Properties
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Technical Information
Catalog Number:
AA00EZFQ
Chemical Name:
(4R)-4-[(3R,5R,8R,9S,10S,12R,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
CAS Number:
570-62-7
Molecular Formula:
C24H40O4
Molecular Weight:
392.5720
MDL Number:
MFCD00200635
SMILES:
O[C@@H]1CC[C@]2([C@@H](C1)CC[C@@H]1[C@@H]2C[C@@H](O)[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)C
Properties
Computed Properties
 
Complexity:
605  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
10  
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Rotatable Bond Count:
4  
XLogP3:
4.9  

Literature

Title: Substrate specificities of rat oatp1 and ntcp: implications for hepatic organic anion uptake.

Journal: American journal of physiology. Gastrointestinal and liver physiology 20031101

Title: Effects of deoxycholate on human colon cancer cells: apoptosis or proliferation.

Journal: European journal of clinical investigation 20020101

Title: Yamaga, N.,et al. Analysis of Bile Acids in Urine Specimens from Healthy Humans: Determination of Several Bile Acids with-Hydroxyl and Carbonyl Groups. Journal of Biochemistry, 1996. 119(4), 725–730.

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SDS
Tags:570-62-7 Molecular Formula|570-62-7 MDL|570-62-7 SMILES|570-62-7 (4R)-4-[(3R,5R,8R,9S,10S,12R,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid