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14772-92-0,MFCD07369531
Catalog No.:AA001F3J

14772-92-0 | Cholan-24-oic acid, 7,12-dihydroxy-3-oxo-, methyl ester, (5α,7α,12α)- (9CI)

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10mg
3 weeks  
$403.00   $282.00
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Technical Information
Catalog Number:
AA001F3J
Chemical Name:
Cholan-24-oic acid, 7,12-dihydroxy-3-oxo-, methyl ester, (5α,7α,12α)- (9CI)
CAS Number:
14772-92-0
Molecular Formula:
C25H40O5
Molecular Weight:
420.5821
MDL Number:
MFCD07369531
SMILES:
COC(=O)CC[C@H]([C@H]1CC[C@@H]2[C@]1(C)[C@@H](O)C[C@H]1[C@H]2[C@H](O)C[C@@H]2[C@]1(C)CCC(=O)C2)C
Properties
Properties
 
MP:
154-155°C  
Storage:
2-8℃;  

Computed Properties
 
Complexity:
691  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
10  
Heavy Atom Count:
30  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
5  
XLogP3:
3.5  

Literature
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SDS
Tags:14772-92-0 Molecular Formula|14772-92-0 MDL|14772-92-0 SMILES|14772-92-0 Cholan-24-oic acid, 7,12-dihydroxy-3-oxo-, methyl ester, (5α,7α,12α)- (9CI)